(2S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-amine

C19H22F3N — CID 146224491

IUPAC(2S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-amine
SMILESCCCC[C@H](N)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H22F3N/c1-2-3-4-18(23)13-14-5-7-15(8-6-14)16-9-11-17(12-10-16)19(20,21)22/h5-12,18H,2-4,13,23H2,1H3/t18-/m0/s1
InChIKeyXEZJPLHOCICDFV-SFHVURJKSA-N
MW321.39 g/mol
LogP5.43
Rot. Bonds6

About (2S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-amine

(2S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-amine (PubChem CID 146224491) has the molecular formula C19H22F3N and a molecular weight of 321.39 g/mol. Its IUPAC name is (2S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-amine.

Molecular Properties

Compound Name(2S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-amine
PubChem CID146224491
Molecular FormulaC19H22F3N
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name(2S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-amine
SMILESCCCC[C@H](N)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H22F3N/c1-2-3-4-18(23)13-14-5-7-15(8-6-14)16-9-11-17(12-10-16)19(20,21)22/h5-12,18H,2-4,13,23H2,1H3/t18-/m0/s1
InChIKeyXEZJPLHOCICDFV-SFHVURJKSA-N
XLogP5.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.39
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(trifluoromethyl)phenyl]decan-2-amine
CID 65426535
1-(4-tert-butylphenyl)octan-2-amine
CID 115842872
5-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 115820554
1-(trifluoromethyl)-4-(4-undecylphenyl)benzene
CID 19095048
1-(4-propylphenyl)hexan-2-amine
CID 82255234
N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 55040773
2-amino-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide
CID 162721267
1-(4-fluorophenyl)undecan-2-amine
CID 63412478
1-(4-fluorophenyl)octan-2-amine
CID 62600868
1-(4-ethylphenyl)undecan-2-amine
CID 115803351
(2S)-2-amino-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide;hydrochloride
CID 162721213
N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine
CID 114752994

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-amine?
The IUPAC name of (2S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-amine (CID 146224491) is (2S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-amine.
What is the SMILES notation for (2S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-amine?
The canonical SMILES for (2S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-amine is CCCC[C@H](N)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of (2S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-amine?
The InChIKey is XEZJPLHOCICDFV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22F3N/c1-2-3-4-18(23)13-14-5-7-15(8-6-14)16-9-11-17(12-10-16)19(20,21)22/h5-12,18H,2-4,13,23H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-amine?
(2S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-amine has a molecular weight of 321.39 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-amine is sourced from PubChem (CID 146224491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).