2,2-bis(3-methylphenyl)-3-phenylpropan-1-amine;2-chloropyridine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine

C56H51ClF6N4O2 — CID 158079141

IUPAC2,2-bis(3-methylphenyl)-3-phenylpropan-1-amine;2-chloropyridine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine
SMILESCc1cccc(C(CN)(Cc2ccccc2)c2cccc(C)c2)c1.Clc1ccccn1.FC(F)(F)Oc1cccc(C(CNc2ccccn2)(Cc2ccccc2)c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C28H22F6N2O2.C23H25N.C5H4ClN/c29-27(30,31)37-23-12-6-10-21(16-23)26(18-20-8-2-1-3-9-20,19-36-25-14-4-5-15-35-25)22-11-7-13-24(17-22)38-28(32,33)34;1-18-8-6-12-21(14-18)23(17-24,16-20-10-4-3-5-11-20)22-13-7-9-19(2)15-22;6-5-3-1-2-4-7-5/h1-17H,18-19H2,(H,35,36);3-15H,16-17,24H2,1-2H3;1-4H
InChIKeyFMSRVJQWFDNHBP-UHFFFAOYSA-N
MW961.49 g/mol
LogP14.05
Rot. Bonds14

About 2,2-bis(3-methylphenyl)-3-phenylpropan-1-amine;2-chloropyridine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine

2,2-bis(3-methylphenyl)-3-phenylpropan-1-amine;2-chloropyridine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine (PubChem CID 158079141) has the molecular formula C56H51ClF6N4O2 and a molecular weight of 961.49 g/mol. Its IUPAC name is 2,2-bis(3-methylphenyl)-3-phenylpropan-1-amine;2-chloropyridine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine.

Molecular Properties

Compound Name2,2-bis(3-methylphenyl)-3-phenylpropan-1-amine;2-chloropyridine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine
PubChem CID158079141
Molecular FormulaC56H51ClF6N4O2
Molecular Weight961.49 g/mol
Exact Mass960.36
IUPAC Name2,2-bis(3-methylphenyl)-3-phenylpropan-1-amine;2-chloropyridine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine
SMILESCc1cccc(C(CN)(Cc2ccccc2)c2cccc(C)c2)c1.Clc1ccccn1.FC(F)(F)Oc1cccc(C(CNc2ccccn2)(Cc2ccccc2)c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C28H22F6N2O2.C23H25N.C5H4ClN/c29-27(30,31)37-23-12-6-10-21(16-23)26(18-20-8-2-1-3-9-20,19-36-25-14-4-5-15-35-25)22-11-7-13-24(17-22)38-28(32,33)34;1-18-8-6-12-21(14-18)23(17-24,16-20-10-4-3-5-11-20)22-13-7-9-19(2)15-22;6-5-3-1-2-4-7-5/h1-17H,18-19H2,(H,35,36);3-15H,16-17,24H2,1-2H3;1-4H
InChIKeyFMSRVJQWFDNHBP-UHFFFAOYSA-N
XLogP14.05
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.49
LogP ≤ 514.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-N-[5-chloro-4-[6-[[3-(trifluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 68405068
4-N-[5-chloro-4-[6-[(3-methoxyphenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 68405073
N-[4-(aminomethyl)cyclohexyl]-5-chloro-4-[6-[[3-(difluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-amine
CID 68405504
4-N-[5-chloro-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 68405528
4-N-[5-chloro-4-[6-[[4-(difluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 68405530
4-N-[5-chloro-4-[6-[[3-(difluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 70793961
N-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridin-2-amine
CID 141732278
3-Chloro-N-({2-[3-(trifluoromethyl)phenoxy]pyridin-3-YL}methyl)pyridin-2-amine
CID 56739499
N-[(1S)-5-[3-chloro-4-[6-methoxy-5-(methylaminomethyl)-2-pyridinyl]-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methoxy-5-(methylaminomethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 170696640
N-[(1S)-5-[3-chloro-2-[3-methoxy-4-(methylaminomethyl)phenyl]-4-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methoxy-5-(methylaminomethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 170696784
1-[5-(3'-Chloro-2-fluoro-6-methoxy-biphenyl-3-ylmethyl)-pyridin-2-yl]-piperazine
CID 58020067
6-[2-[[4-(aminomethyl)cyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[[3-(difluoromethoxy)phenyl]methyl]pyridin-2-amine
CID 58127079

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(3-methylphenyl)-3-phenylpropan-1-amine;2-chloropyridine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine?
The IUPAC name of 2,2-bis(3-methylphenyl)-3-phenylpropan-1-amine;2-chloropyridine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine (CID 158079141) is 2,2-bis(3-methylphenyl)-3-phenylpropan-1-amine;2-chloropyridine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine.
What is the SMILES notation for 2,2-bis(3-methylphenyl)-3-phenylpropan-1-amine;2-chloropyridine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine?
The canonical SMILES for 2,2-bis(3-methylphenyl)-3-phenylpropan-1-amine;2-chloropyridine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine is Cc1cccc(C(CN)(Cc2ccccc2)c2cccc(C)c2)c1.Clc1ccccn1.FC(F)(F)Oc1cccc(C(CNc2ccccn2)(Cc2ccccc2)c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 2,2-bis(3-methylphenyl)-3-phenylpropan-1-amine;2-chloropyridine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine?
The InChIKey is FMSRVJQWFDNHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F6N2O2.C23H25N.C5H4ClN/c29-27(30,31)37-23-12-6-10-21(16-23)26(18-20-8-2-1-3-9-20,19-36-25-14-4-5-15-35-25)22-11-7-13-24(17-22)38-28(32,33)34;1-18-8-6-12-21(14-18)23(17-24,16-20-10-4-3-5-11-20)22-13-7-9-19(2)15-22;6-5-3-1-2-4-7-5/h1-17H,18-19H2,(H,35,36);3-15H,16-17,24H2,1-2H3;1-4H.
What are the key properties of 2,2-bis(3-methylphenyl)-3-phenylpropan-1-amine;2-chloropyridine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine?
2,2-bis(3-methylphenyl)-3-phenylpropan-1-amine;2-chloropyridine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine has a molecular weight of 961.49 g/mol, XLogP of 14.05, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(3-methylphenyl)-3-phenylpropan-1-amine;2-chloropyridine;N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyridin-2-amine is sourced from PubChem (CID 158079141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).