N-[(3-chlorophenyl)methyl]-1-[4-[4-(trifluoromethoxy)phenyl]naphthalen-2-yl]ethanamine

C26H21ClF3NO — CID 144798629

IUPACN-[(3-chlorophenyl)methyl]-1-[4-[4-(trifluoromethoxy)phenyl]naphthalen-2-yl]ethanamine
SMILESCC(NCc1cccc(Cl)c1)c1cc(-c2ccc(OC(F)(F)F)cc2)c2ccccc2c1
InChIInChI=1S/C26H21ClF3NO/c1-17(31-16-18-5-4-7-22(27)13-18)21-14-20-6-2-3-8-24(20)25(15-21)19-9-11-23(12-10-19)32-26(28,29)30/h2-15,17,31H,16H2,1H3
InChIKeyMLFFOXZJDBDTSX-UHFFFAOYSA-N
MW455.91 g/mol
LogP7.91
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-1-[4-[4-(trifluoromethoxy)phenyl]naphthalen-2-yl]ethanamine

N-[(3-chlorophenyl)methyl]-1-[4-[4-(trifluoromethoxy)phenyl]naphthalen-2-yl]ethanamine (PubChem CID 144798629) has the molecular formula C26H21ClF3NO and a molecular weight of 455.91 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-[4-[4-(trifluoromethoxy)phenyl]naphthalen-2-yl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-[4-[4-(trifluoromethoxy)phenyl]naphthalen-2-yl]ethanamine
PubChem CID144798629
Molecular FormulaC26H21ClF3NO
Molecular Weight455.91 g/mol
Exact Mass455.13
IUPAC NameN-[(3-chlorophenyl)methyl]-1-[4-[4-(trifluoromethoxy)phenyl]naphthalen-2-yl]ethanamine
SMILESCC(NCc1cccc(Cl)c1)c1cc(-c2ccc(OC(F)(F)F)cc2)c2ccccc2c1
InChIInChI=1S/C26H21ClF3NO/c1-17(31-16-18-5-4-7-22(27)13-18)21-14-20-6-2-3-8-24(20)25(15-21)19-9-11-23(12-10-19)32-26(28,29)30/h2-15,17,31H,16H2,1H3
InChIKeyMLFFOXZJDBDTSX-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

Analyze N-[(3-chlorophenyl)methyl]-1-[4-[4-(trifluoromethoxy)phenyl]naphthalen-2-yl]ethanamine 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-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine
CID 22391172
(1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28564761
(1R)-N-[[1-ethyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-1-phenylethanamine
CID 58803196
(1R)-1-(4-fluoro-3-methoxyphenyl)-N-[[4-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]methyl]ethanamine;hydrochloride
CID 122422145
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459
1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-(trifluoromethoxy)benzene
CID 116629289
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457
(1R)-1-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 107104527
1-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43181407
N-[1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46490982
(1R)-1-(3-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine
CID 29031162
(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363703

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-[4-[4-(trifluoromethoxy)phenyl]naphthalen-2-yl]ethanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-[4-[4-(trifluoromethoxy)phenyl]naphthalen-2-yl]ethanamine (CID 144798629) is N-[(3-chlorophenyl)methyl]-1-[4-[4-(trifluoromethoxy)phenyl]naphthalen-2-yl]ethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-[4-[4-(trifluoromethoxy)phenyl]naphthalen-2-yl]ethanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-[4-[4-(trifluoromethoxy)phenyl]naphthalen-2-yl]ethanamine is CC(NCc1cccc(Cl)c1)c1cc(-c2ccc(OC(F)(F)F)cc2)c2ccccc2c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-[4-[4-(trifluoromethoxy)phenyl]naphthalen-2-yl]ethanamine?
The InChIKey is MLFFOXZJDBDTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF3NO/c1-17(31-16-18-5-4-7-22(27)13-18)21-14-20-6-2-3-8-24(20)25(15-21)19-9-11-23(12-10-19)32-26(28,29)30/h2-15,17,31H,16H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-[4-[4-(trifluoromethoxy)phenyl]naphthalen-2-yl]ethanamine?
N-[(3-chlorophenyl)methyl]-1-[4-[4-(trifluoromethoxy)phenyl]naphthalen-2-yl]ethanamine 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-[(3-chlorophenyl)methyl]-1-[4-[4-(trifluoromethoxy)phenyl]naphthalen-2-yl]ethanamine is sourced from PubChem (CID 144798629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).