N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-(3-methylphenyl)ethanamine

C24H24F3NO — CID 10453544

IUPACN-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-(3-methylphenyl)ethanamine
SMILESCOc1ccc(CNC(C)c2cccc(C)c2)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H24F3NO/c1-16-5-4-6-20(13-16)17(2)28-15-18-7-12-23(29-3)22(14-18)19-8-10-21(11-9-19)24(25,26)27/h4-14,17,28H,15H2,1-3H3
InChIKeyDPVDYMFQKDPRNX-UHFFFAOYSA-N
MW399.46 g/mol
LogP6.54
Rot. Bonds6

About N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-(3-methylphenyl)ethanamine

N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-(3-methylphenyl)ethanamine (PubChem CID 10453544) has the molecular formula C24H24F3NO and a molecular weight of 399.46 g/mol. Its IUPAC name is N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-(3-methylphenyl)ethanamine
PubChem CID10453544
Molecular FormulaC24H24F3NO
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC NameN-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-(3-methylphenyl)ethanamine
SMILESCOc1ccc(CNC(C)c2cccc(C)c2)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H24F3NO/c1-16-5-4-6-20(13-16)17(2)28-15-18-7-12-23(29-3)22(14-18)19-8-10-21(11-9-19)24(25,26)27/h4-14,17,28H,15H2,1-3H3
InChIKeyDPVDYMFQKDPRNX-UHFFFAOYSA-N
XLogP6.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.46
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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 N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-(3-methylphenyl)ethanamine?
The IUPAC name of N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-(3-methylphenyl)ethanamine (CID 10453544) is N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-(3-methylphenyl)ethanamine?
The canonical SMILES for N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-(3-methylphenyl)ethanamine is COc1ccc(CNC(C)c2cccc(C)c2)cc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-(3-methylphenyl)ethanamine?
The InChIKey is DPVDYMFQKDPRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NO/c1-16-5-4-6-20(13-16)17(2)28-15-18-7-12-23(29-3)22(14-18)19-8-10-21(11-9-19)24(25,26)27/h4-14,17,28H,15H2,1-3H3.
What are the key properties of N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-(3-methylphenyl)ethanamine?
N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-(3-methylphenyl)ethanamine has a molecular weight of 399.46 g/mol, XLogP of 6.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 10453544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).