(E)-N,N-dibenzyl-1,1,1-trifluoro-5-(4-methoxyphenyl)pent-2-en-2-amine

C26H26F3NO — CID 177429792

IUPAC(E)-N,N-dibenzyl-1,1,1-trifluoro-5-(4-methoxyphenyl)pent-2-en-2-amine
SMILESCOc1ccc(CC/C=C(/N(Cc2ccccc2)Cc2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C26H26F3NO/c1-31-24-17-15-21(16-18-24)13-8-14-25(26(27,28)29)30(19-22-9-4-2-5-10-22)20-23-11-6-3-7-12-23/h2-7,9-12,14-18H,8,13,19-20H2,1H3/b25-14+
InChIKeyRNWXCKLURGZGMG-AFUMVMLFSA-N
MW425.49 g/mol
LogP6.78
Rot. Bonds9

About (E)-N,N-dibenzyl-1,1,1-trifluoro-5-(4-methoxyphenyl)pent-2-en-2-amine

(E)-N,N-dibenzyl-1,1,1-trifluoro-5-(4-methoxyphenyl)pent-2-en-2-amine (PubChem CID 177429792) has the molecular formula C26H26F3NO and a molecular weight of 425.49 g/mol. Its IUPAC name is (E)-N,N-dibenzyl-1,1,1-trifluoro-5-(4-methoxyphenyl)pent-2-en-2-amine.

Molecular Properties

Compound Name(E)-N,N-dibenzyl-1,1,1-trifluoro-5-(4-methoxyphenyl)pent-2-en-2-amine
PubChem CID177429792
Molecular FormulaC26H26F3NO
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name(E)-N,N-dibenzyl-1,1,1-trifluoro-5-(4-methoxyphenyl)pent-2-en-2-amine
SMILESCOc1ccc(CC/C=C(/N(Cc2ccccc2)Cc2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C26H26F3NO/c1-31-24-17-15-21(16-18-24)13-8-14-25(26(27,28)29)30(19-22-9-4-2-5-10-22)20-23-11-6-3-7-12-23/h2-7,9-12,14-18H,8,13,19-20H2,1H3/b25-14+
InChIKeyRNWXCKLURGZGMG-AFUMVMLFSA-N
XLogP6.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11415775
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CID 122204874
1-methoxy-4-(6-phenylhexyl)benzene
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N-benzyl-4-methoxy-N-(trifluoromethyl)aniline
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4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide
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1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea
CID 71889703
1-chloro-4-[4-(4-methoxyphenyl)-1-phenylbut-1-enyl]benzene
CID 71377877
(E)-5-(4-methoxyphenyl)-2-methylpent-2-en-1-ol
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1-benzyl-3-ethyl-1-[(4-methoxyphenyl)methyl]thiourea
CID 17385327
1-benzyl-1-(2-hydroxyethyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
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N-benzyl-4-methoxy-N-(1,1,2,2,2-pentafluoroethyl)aniline
CID 14926287

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dibenzyl-1,1,1-trifluoro-5-(4-methoxyphenyl)pent-2-en-2-amine?
The IUPAC name of (E)-N,N-dibenzyl-1,1,1-trifluoro-5-(4-methoxyphenyl)pent-2-en-2-amine (CID 177429792) is (E)-N,N-dibenzyl-1,1,1-trifluoro-5-(4-methoxyphenyl)pent-2-en-2-amine.
What is the SMILES notation for (E)-N,N-dibenzyl-1,1,1-trifluoro-5-(4-methoxyphenyl)pent-2-en-2-amine?
The canonical SMILES for (E)-N,N-dibenzyl-1,1,1-trifluoro-5-(4-methoxyphenyl)pent-2-en-2-amine is COc1ccc(CC/C=C(/N(Cc2ccccc2)Cc2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of (E)-N,N-dibenzyl-1,1,1-trifluoro-5-(4-methoxyphenyl)pent-2-en-2-amine?
The InChIKey is RNWXCKLURGZGMG-AFUMVMLFSA-N. The full InChI is InChI=1S/C26H26F3NO/c1-31-24-17-15-21(16-18-24)13-8-14-25(26(27,28)29)30(19-22-9-4-2-5-10-22)20-23-11-6-3-7-12-23/h2-7,9-12,14-18H,8,13,19-20H2,1H3/b25-14+.
What are the key properties of (E)-N,N-dibenzyl-1,1,1-trifluoro-5-(4-methoxyphenyl)pent-2-en-2-amine?
(E)-N,N-dibenzyl-1,1,1-trifluoro-5-(4-methoxyphenyl)pent-2-en-2-amine has a molecular weight of 425.49 g/mol, XLogP of 6.78, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dibenzyl-1,1,1-trifluoro-5-(4-methoxyphenyl)pent-2-en-2-amine is sourced from PubChem (CID 177429792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).