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

C26H21ClF3N — CID 22391545

IUPACN-[[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine
SMILESCC(NCc1ccc(Cl)c(-c2ccc(C(F)(F)F)cc2)c1)c1cccc2ccccc12
InChIInChI=1S/C26H21ClF3N/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)26(28,29)30/h2-15,17,31H,16H2,1H3
InChIKeyRWFZEVYKGDVASF-UHFFFAOYSA-N
MW439.91 g/mol
LogP8.03
Rot. Bonds5

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

N-[[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine (PubChem CID 22391545) has the molecular formula C26H21ClF3N and a molecular weight of 439.91 g/mol. Its IUPAC name is N-[[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound NameN-[[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine
PubChem CID22391545
Molecular FormulaC26H21ClF3N
Molecular Weight439.91 g/mol
Exact Mass439.13
IUPAC NameN-[[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine
SMILESCC(NCc1ccc(Cl)c(-c2ccc(C(F)(F)F)cc2)c1)c1cccc2ccccc12
InChIInChI=1S/C26H21ClF3N/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)26(28,29)30/h2-15,17,31H,16H2,1H3
InChIKeyRWFZEVYKGDVASF-UHFFFAOYSA-N
XLogP8.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.91
LogP ≤ 58.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cinacalcet
CID 156419
Cinacalcet Hydrochloride
CID 156418
N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 6101856
[4-(4-Chloro-3-trifluoromethyl-phenyl)-1,2,3,4-tetrahydro-naphthalen-1-yl]-methyl-amine
CID 13408736
(2R)-4-(4-chlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 52514484
(1S,4S)-4-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 13408740
(1R,4S)-4-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 54580784
1-Naphthalenemethanamine, N-[(4-chlorophenyl)methyl]-, hydrochloride (1:1)
CID 86909
N-[(1S)-1-(1-Naphthyl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1-propanamine hydrochloride
CID 46781027
2-N-[(3-chlorophenyl)methyl]-1-N-(1-naphthalen-1-ylethyl)-3-phenylpropane-1,2-diamine;hydrochloride
CID 45261536
2-N-[(2-chlorophenyl)methyl]-1-N-(1-naphthalen-1-ylethyl)-3-phenylpropane-1,2-diamine;hydrochloride
CID 45264915
(3S)-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-7-phenylspiro[3.5]nonan-3-amine
CID 156602637

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine?
The IUPAC name of N-[[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine (CID 22391545) is N-[[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine.
What is the SMILES notation for N-[[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine?
The canonical SMILES for N-[[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine is CC(NCc1ccc(Cl)c(-c2ccc(C(F)(F)F)cc2)c1)c1cccc2ccccc12.
What is the InChIKey of N-[[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine?
The InChIKey is RWFZEVYKGDVASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF3N/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)26(28,29)30/h2-15,17,31H,16H2,1H3.
What are the key properties of N-[[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine?
N-[[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine has a molecular weight of 439.91 g/mol, XLogP of 8.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 22391545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).