N-[[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine

C26H21ClF3NO — CID 22391172

IUPACN-[[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine
SMILESCC(NCc1ccc(Cl)c(-c2ccc(OC(F)(F)F)cc2)c1)c1cccc2ccccc12
InChIInChI=1S/C26H21ClF3NO/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)31-16-18-9-14-25(27)24(15-18)20-10-12-21(13-11-20)32-26(28,29)30/h2-15,17,31H,16H2,1H3
InChIKeyCFKONZIMXTYJHT-UHFFFAOYSA-N
MW455.91 g/mol
LogP7.91
Rot. Bonds6

About N-[[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine

N-[[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine (PubChem CID 22391172) has the molecular formula C26H21ClF3NO and a molecular weight of 455.91 g/mol. Its IUPAC name is N-[[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound NameN-[[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine
PubChem CID22391172
Molecular FormulaC26H21ClF3NO
Molecular Weight455.91 g/mol
Exact Mass455.13
IUPAC NameN-[[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine
SMILESCC(NCc1ccc(Cl)c(-c2ccc(OC(F)(F)F)cc2)c1)c1cccc2ccccc12
InChIInChI=1S/C26H21ClF3NO/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)31-16-18-9-14-25(27)24(15-18)20-10-12-21(13-11-20)32-26(28,29)30/h2-15,17,31H,16H2,1H3
InChIKeyCFKONZIMXTYJHT-UHFFFAOYSA-N
XLogP7.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.91
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-[4-[4-(trifluoromethoxy)phenyl]naphthalen-2-yl]ethanamine
CID 144798629
2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 89022612
N-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride
CID 18357734
N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 60590175
(1R)-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 70834221
N-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
CID 21087523
N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671
(1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine
CID 58803196
(1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28564761
2-[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]acetonitrile
CID 134631021
N-[(1-ethyl-3-phenylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine
CID 21087525
(1R)-N-[[4-(ethoxymethoxy)phenyl]methyl]-1-naphthalen-1-ylethanamine
CID 97258214

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine?
The IUPAC name of N-[[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine (CID 22391172) is N-[[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine.
What is the SMILES notation for N-[[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine?
The canonical SMILES for N-[[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine is CC(NCc1ccc(Cl)c(-c2ccc(OC(F)(F)F)cc2)c1)c1cccc2ccccc12.
What is the InChIKey of N-[[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine?
The InChIKey is CFKONZIMXTYJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF3NO/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)31-16-18-9-14-25(27)24(15-18)20-10-12-21(13-11-20)32-26(28,29)30/h2-15,17,31H,16H2,1H3.
What are the key properties of N-[[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine?
N-[[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine has a molecular weight of 455.91 g/mol, XLogP of 7.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 22391172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).