(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine

C11H13ClF3N — CID 131398448

IUPAC(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine
SMILESCC(C)[C@@H](N)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H13ClF3N/c1-6(2)10(16)8-4-3-7(5-9(8)12)11(13,14)15/h3-6,10H,16H2,1-2H3/t10-/m1/s1
InChIKeyKBKADPOJLOEWBS-SNVBAGLBSA-N
MW251.68 g/mol
LogP4.01
Rot. Bonds2

About (1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine

(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine (PubChem CID 131398448) has the molecular formula C11H13ClF3N and a molecular weight of 251.68 g/mol. Its IUPAC name is (1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine
PubChem CID131398448
Molecular FormulaC11H13ClF3N
Molecular Weight251.68 g/mol
Exact Mass251.07
IUPAC Name(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine
SMILESCC(C)[C@@H](N)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H13ClF3N/c1-6(2)10(16)8-4-3-7(5-9(8)12)11(13,14)15/h3-6,10H,16H2,1-2H3/t10-/m1/s1
InChIKeyKBKADPOJLOEWBS-SNVBAGLBSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine
CID 129407606
2-chloro-1-(dichloromethyl)-4-(trifluoromethyl)benzene
CID 10858323
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine
CID 71074670
(1R,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol
CID 171160035
(1R)-1-(2-chloro-4-methylphenyl)-2-methylpropan-1-amine
CID 55273772
(1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 131404288
1-[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 82783494
1-[2-chloro-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 102755598
N-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]formamide
CID 154659574
2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline
CID 96763613
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 171248868

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine?
The IUPAC name of (1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine (CID 131398448) is (1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine.
What is the SMILES notation for (1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine?
The canonical SMILES for (1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine is CC(C)[C@@H](N)c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of (1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine?
The InChIKey is KBKADPOJLOEWBS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13ClF3N/c1-6(2)10(16)8-4-3-7(5-9(8)12)11(13,14)15/h3-6,10H,16H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine?
(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine has a molecular weight of 251.68 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine is sourced from PubChem (CID 131398448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).