5,5-diphenyl-N-(thiophen-3-ylmethyl)pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pent-4-en-1-amine;N-[(4-fluorophenyl)methyl]-5,5-diphenylpent-4-en-1-amine;N-[(4-methoxyphenyl)methyl]-5,5-diphenylpent-4-en-1-amine

C121H122F7N5O2S — CID 160589959

IUPAC5,5-diphenyl-N-(thiophen-3-ylmethyl)pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pent-4-en-1-amine;N-[(4-fluorophenyl)methyl]-5,5-diphenylpent-4-en-1-amine;N-[(4-methoxyphenyl)methyl]-5,5-diphenylpent-4-en-1-amine
SMILESC(CCCNCc1ccsc1)=C(c1ccccc1)c1ccccc1.COc1ccc(CNCCCC=C(c2ccccc2)c2ccccc2)cc1.FC(F)(F)Oc1ccc(CNCCCC=C(c2ccccc2)c2ccccc2)cc1.FC(F)(F)c1ccc(CNCCCC=C(c2ccccc2)c2ccccc2)cc1.Fc1ccc(CNCCCC=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H24F3NO.C25H24F3N.C25H27NO.C24H24FN.C22H23NS/c26-25(27,28)30-23-16-14-20(15-17-23)19-29-18-8-7-13-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22;26-25(27,28)23-16-14-20(15-17-23)19-29-18-8-7-13-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22;1-27-24-17-15-21(16-18-24)20-26-19-9-8-14-25(22-10-4-2-5-11-22)23-12-6-3-7-13-23;25-23-16-14-20(15-17-23)19-26-18-8-7-13-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22;1-3-9-20(10-4-1)22(21-11-5-2-6-12-21)13-7-8-15-23-17-19-14-16-24-18-19/h1-6,9-17,29H,7-8,18-19H2;1-6,9-17,29H,7-8,18-19H2;2-7,10-18,26H,8-9,19-20H2,1H3;1-6,9-17,26H,7-8,18-19H2;1-6,9-14,16,18,23H,7-8,15,17H2
InChIKeyRCWOZUADVDCGOM-UHFFFAOYSA-N
MW1843.39 g/mol
LogP30.57
Rot. Bonds42

About 5,5-diphenyl-N-(thiophen-3-ylmethyl)pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pent-4-en-1-amine;N-[(4-fluorophenyl)methyl]-5,5-diphenylpent-4-en-1-amine;N-[(4-methoxyphenyl)methyl]-5,5-diphenylpent-4-en-1-amine

5,5-diphenyl-N-(thiophen-3-ylmethyl)pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pent-4-en-1-amine;N-[(4-fluorophenyl)methyl]-5,5-diphenylpent-4-en-1-amine;N-[(4-methoxyphenyl)methyl]-5,5-diphenylpent-4-en-1-amine (PubChem CID 160589959) has the molecular formula C121H122F7N5O2S and a molecular weight of 1843.39 g/mol. Its IUPAC name is 5,5-diphenyl-N-(thiophen-3-ylmethyl)pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pent-4-en-1-amine;N-[(4-fluorophenyl)methyl]-5,5-diphenylpent-4-en-1-amine;N-[(4-methoxyphenyl)methyl]-5,5-diphenylpent-4-en-1-amine.

Molecular Properties

Compound Name5,5-diphenyl-N-(thiophen-3-ylmethyl)pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pent-4-en-1-amine;N-[(4-fluorophenyl)methyl]-5,5-diphenylpent-4-en-1-amine;N-[(4-methoxyphenyl)methyl]-5,5-diphenylpent-4-en-1-amine
PubChem CID160589959
Molecular FormulaC121H122F7N5O2S
Molecular Weight1843.39 g/mol
Exact Mass1841.92
IUPAC Name5,5-diphenyl-N-(thiophen-3-ylmethyl)pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pent-4-en-1-amine;N-[(4-fluorophenyl)methyl]-5,5-diphenylpent-4-en-1-amine;N-[(4-methoxyphenyl)methyl]-5,5-diphenylpent-4-en-1-amine
SMILESC(CCCNCc1ccsc1)=C(c1ccccc1)c1ccccc1.COc1ccc(CNCCCC=C(c2ccccc2)c2ccccc2)cc1.FC(F)(F)Oc1ccc(CNCCCC=C(c2ccccc2)c2ccccc2)cc1.FC(F)(F)c1ccc(CNCCCC=C(c2ccccc2)c2ccccc2)cc1.Fc1ccc(CNCCCC=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H24F3NO.C25H24F3N.C25H27NO.C24H24FN.C22H23NS/c26-25(27,28)30-23-16-14-20(15-17-23)19-29-18-8-7-13-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22;26-25(27,28)23-16-14-20(15-17-23)19-29-18-8-7-13-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22;1-27-24-17-15-21(16-18-24)20-26-19-9-8-14-25(22-10-4-2-5-11-22)23-12-6-3-7-13-23;25-23-16-14-20(15-17-23)19-26-18-8-7-13-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22;1-3-9-20(10-4-1)22(21-11-5-2-6-12-21)13-7-8-15-23-17-19-14-16-24-18-19/h1-6,9-17,29H,7-8,18-19H2;1-6,9-17,29H,7-8,18-19H2;2-7,10-18,26H,8-9,19-20H2,1H3;1-6,9-17,26H,7-8,18-19H2;1-6,9-14,16,18,23H,7-8,15,17H2
InChIKeyRCWOZUADVDCGOM-UHFFFAOYSA-N
XLogP30.57
TPSA78.61 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds42
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001843.39
LogP ≤ 530.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5,5-diphenyl-N-(thiophen-3-ylmethyl)pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pent-4-en-1-amine;N-[(4-fluorophenyl)methyl]-5,5-diphenylpent-4-en-1-amine;N-[(4-methoxyphenyl)methyl]-5,5-diphenylpent-4-en-1-amine with MolForge

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Related Compounds

N-[[4,5-bis[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]methyl]-1-piperidin-4-ylmethanamine
CID 155534723
3-[4-[(benzylamino)methyl]-3-fluorophenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 138560167
N-[[3-(aminomethyl)phenyl]methyl]-1-cyclohexyl-N-[[4-(3-methylphenoxy)phenyl]methyl]methanamine;[4-[[cyclohexylmethyl(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methanamine;2,2-difluoro-2-phosphanylacetic acid;2,2,2-trifluoroacetic acid
CID 142934421
[4-[[(3,5-Difluorophenyl)methyl-[5-(4-propan-2-ylphenyl)pentyl]amino]methyl]phenyl] formate;[4-[[2-[(4-methylphenyl)methylamino]ethyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl] formate;[4-[[3-[(4-methylphenyl)methylsulfanyl]propyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl] formate;[4-[[(4-methylsulfanylphenyl)methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl] formate
CID 157201702
2-(2-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 4723288
2-(4-fluorophenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 4723289
2-(2-Fluorophenyl)ethyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 8621574
2-(4-Fluorophenyl)ethyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 8621579
(1R)-1-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]ethanamine
CID 37753505
(1S)-1-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]ethanamine
CID 37753510
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine
CID 43090387
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43225881

Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-N-(thiophen-3-ylmethyl)pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pent-4-en-1-amine;N-[(4-fluorophenyl)methyl]-5,5-diphenylpent-4-en-1-amine;N-[(4-methoxyphenyl)methyl]-5,5-diphenylpent-4-en-1-amine?
The IUPAC name of 5,5-diphenyl-N-(thiophen-3-ylmethyl)pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pent-4-en-1-amine;N-[(4-fluorophenyl)methyl]-5,5-diphenylpent-4-en-1-amine;N-[(4-methoxyphenyl)methyl]-5,5-diphenylpent-4-en-1-amine (CID 160589959) is 5,5-diphenyl-N-(thiophen-3-ylmethyl)pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pent-4-en-1-amine;N-[(4-fluorophenyl)methyl]-5,5-diphenylpent-4-en-1-amine;N-[(4-methoxyphenyl)methyl]-5,5-diphenylpent-4-en-1-amine.
What is the SMILES notation for 5,5-diphenyl-N-(thiophen-3-ylmethyl)pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pent-4-en-1-amine;N-[(4-fluorophenyl)methyl]-5,5-diphenylpent-4-en-1-amine;N-[(4-methoxyphenyl)methyl]-5,5-diphenylpent-4-en-1-amine?
The canonical SMILES for 5,5-diphenyl-N-(thiophen-3-ylmethyl)pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pent-4-en-1-amine;N-[(4-fluorophenyl)methyl]-5,5-diphenylpent-4-en-1-amine;N-[(4-methoxyphenyl)methyl]-5,5-diphenylpent-4-en-1-amine is C(CCCNCc1ccsc1)=C(c1ccccc1)c1ccccc1.COc1ccc(CNCCCC=C(c2ccccc2)c2ccccc2)cc1.FC(F)(F)Oc1ccc(CNCCCC=C(c2ccccc2)c2ccccc2)cc1.FC(F)(F)c1ccc(CNCCCC=C(c2ccccc2)c2ccccc2)cc1.Fc1ccc(CNCCCC=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 5,5-diphenyl-N-(thiophen-3-ylmethyl)pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pent-4-en-1-amine;N-[(4-fluorophenyl)methyl]-5,5-diphenylpent-4-en-1-amine;N-[(4-methoxyphenyl)methyl]-5,5-diphenylpent-4-en-1-amine?
The InChIKey is RCWOZUADVDCGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3NO.C25H24F3N.C25H27NO.C24H24FN.C22H23NS/c26-25(27,28)30-23-16-14-20(15-17-23)19-29-18-8-7-13-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22;26-25(27,28)23-16-14-20(15-17-23)19-29-18-8-7-13-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22;1-27-24-17-15-21(16-18-24)20-26-19-9-8-14-25(22-10-4-2-5-11-22)23-12-6-3-7-13-23;25-23-16-14-20(15-17-23)19-26-18-8-7-13-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22;1-3-9-20(10-4-1)22(21-11-5-2-6-12-21)13-7-8-15-23-17-19-14-16-24-18-19/h1-6,9-17,29H,7-8,18-19H2;1-6,9-17,29H,7-8,18-19H2;2-7,10-18,26H,8-9,19-20H2,1H3;1-6,9-17,26H,7-8,18-19H2;1-6,9-14,16,18,23H,7-8,15,17H2.
What are the key properties of 5,5-diphenyl-N-(thiophen-3-ylmethyl)pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pent-4-en-1-amine;N-[(4-fluorophenyl)methyl]-5,5-diphenylpent-4-en-1-amine;N-[(4-methoxyphenyl)methyl]-5,5-diphenylpent-4-en-1-amine?
5,5-diphenyl-N-(thiophen-3-ylmethyl)pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pent-4-en-1-amine;N-[(4-fluorophenyl)methyl]-5,5-diphenylpent-4-en-1-amine;N-[(4-methoxyphenyl)methyl]-5,5-diphenylpent-4-en-1-amine has a molecular weight of 1843.39 g/mol, XLogP of 30.57, 42 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-N-(thiophen-3-ylmethyl)pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pent-4-en-1-amine;5,5-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pent-4-en-1-amine;N-[(4-fluorophenyl)methyl]-5,5-diphenylpent-4-en-1-amine;N-[(4-methoxyphenyl)methyl]-5,5-diphenylpent-4-en-1-amine is sourced from PubChem (CID 160589959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).