(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride

C13H18ClF4N — CID 171209069

IUPAC(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
SMILESCC(C)CC[C@@H](N)c1ccc(F)cc1C(F)(F)F.Cl
InChIInChI=1S/C13H17F4N.ClH/c1-8(2)3-6-12(18)10-5-4-9(14)7-11(10)13(15,16)17;/h4-5,7-8,12H,3,6,18H2,1-2H3;1H/t12-;/m1./s1
InChIKeyCDQVPMXDLMGVGP-UTONKHPSSA-N
MW299.74 g/mol
LogP4.70
Rot. Bonds4

About (1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride

(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride (PubChem CID 171209069) has the molecular formula C13H18ClF4N and a molecular weight of 299.74 g/mol. Its IUPAC name is (1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
PubChem CID171209069
Molecular FormulaC13H18ClF4N
Molecular Weight299.74 g/mol
Exact Mass299.11
IUPAC Name(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
SMILESCC(C)CC[C@@H](N)c1ccc(F)cc1C(F)(F)F.Cl
InChIInChI=1S/C13H17F4N.ClH/c1-8(2)3-6-12(18)10-5-4-9(14)7-11(10)13(15,16)17;/h4-5,7-8,12H,3,6,18H2,1-2H3;1H/t12-;/m1./s1
InChIKeyCDQVPMXDLMGVGP-UTONKHPSSA-N
XLogP4.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79021125
(1S)-4,4,4-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 171228633
(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine
CID 171227133
(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
CID 28780270
(1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 131361853
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 79021753
(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171242678
(1R)-1-(2-chloro-5-fluorophenyl)-4-methylpentan-1-amine
CID 171204639
(1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131385611
(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171228674
(1R)-2,2,2-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171242667
1-[4-bromo-2-(trifluoromethyl)phenyl]-5-methylhexan-1-amine
CID 83161775

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride (CID 171209069) is (1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride is CC(C)CC[C@@H](N)c1ccc(F)cc1C(F)(F)F.Cl.
What is the InChIKey of (1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride?
The InChIKey is CDQVPMXDLMGVGP-UTONKHPSSA-N. The full InChI is InChI=1S/C13H17F4N.ClH/c1-8(2)3-6-12(18)10-5-4-9(14)7-11(10)13(15,16)17;/h4-5,7-8,12H,3,6,18H2,1-2H3;1H/t12-;/m1./s1.
What are the key properties of (1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride?
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride has a molecular weight of 299.74 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride is sourced from PubChem (CID 171209069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).