(1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine

C23H22F3NO — CID 11545487

IUPAC(1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine
SMILESCOc1ccc(CN[C@H](C)c2ccccc2)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H22F3NO/c1-16(18-6-4-3-5-7-18)27-15-17-8-13-22(28-2)21(14-17)19-9-11-20(12-10-19)23(24,25)26/h3-14,16,27H,15H2,1-2H3/t16-/m1/s1
InChIKeyJRFWKLXVTAAZAB-MRXNPFEDSA-N
MW385.43 g/mol
LogP6.23
Rot. Bonds6

About (1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine

(1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine (PubChem CID 11545487) has the molecular formula C23H22F3NO and a molecular weight of 385.43 g/mol. Its IUPAC name is (1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine
PubChem CID11545487
Molecular FormulaC23H22F3NO
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name(1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine
SMILESCOc1ccc(CN[C@H](C)c2ccccc2)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H22F3NO/c1-16(18-6-4-3-5-7-18)27-15-17-8-13-22(28-2)21(14-17)19-9-11-20(12-10-19)23(24,25)26/h3-14,16,27H,15H2,1-2H3/t16-/m1/s1
InChIKeyJRFWKLXVTAAZAB-MRXNPFEDSA-N
XLogP6.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.43
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-Methoxybenzyl)-1-(naphthalen-1-yl)methanamine
CID 781301
1-(2-(2-(Difluoromethoxy)phenyl)-1-phenylethyl)piperazine (enantiomeric mix)
CID 46890395
(2-Difluoromethoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 9945487
((2S,3S)-2-Phenyl-piperidin-3-yl)-(2-trifluoromethoxy-benzyl)-amine
CID 9968267
(2S,3S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 10495476
(2S,3S)-2-Phenyl-3-(5-(2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-2-methoxybenzyl)aminopiperidine
CID 15549736
(2S,3S)-3-(2-Methoxy-5-(2,2,2-trifluoroethyl)benzyl)amino-2-phenylpiperidine
CID 15549737
(2S,3S)-N-(5-tert-butyl-2-methoxybenzyl)-2-phenylpiperidin-3-amine
CID 44433393
(S,3S)-3-[5-(1,1-Dimethyl-2,2,2-trifluoroethyl)-2-methoxybenzylamino]-2-phenylpiperidine
CID 44433394
(2S,3S)-N-[[2-methoxy-5-(1,1,1-trifluoropropan-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 44577989
(2S,3S)-3-[(5-Methoxy-1-(trifluoromethyl)indan-6-yl)methylamino]-2-phenylpiperidine
CID 44593633
(2S,3S)-3-((6-Methoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-7-yl)methyl)amino-2-phenylpiperidine
CID 44593634

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine (CID 11545487) is (1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine is COc1ccc(CN[C@H](C)c2ccccc2)cc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine?
The InChIKey is JRFWKLXVTAAZAB-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H22F3NO/c1-16(18-6-4-3-5-7-18)27-15-17-8-13-22(28-2)21(14-17)19-9-11-20(12-10-19)23(24,25)26/h3-14,16,27H,15H2,1-2H3/t16-/m1/s1.
What are the key properties of (1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine?
(1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine has a molecular weight of 385.43 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-phenylethanamine is sourced from PubChem (CID 11545487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).