(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine

C11H13ClF3N — CID 131415614

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

About (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine

(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine (PubChem CID 131415614) has the molecular formula C11H13ClF3N and a molecular weight of 251.68 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine
PubChem CID131415614
Molecular FormulaC11H13ClF3N
Molecular Weight251.68 g/mol
Exact Mass251.07
IUPAC Name(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine
SMILESCC(C)[C@@H](N)c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C11H13ClF3N/c1-6(2)10(16)7-3-4-8(9(12)5-7)11(13,14)15/h3-6,10H,16H2,1-2H3/t10-/m1/s1
InChIKeyYWYNETKUKGYCHK-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,2S)-1-amino-1-[3-chloro-4-(trifluoromethyl)phenyl]-3,3-dimethylbutan-2-ol;hydrochloride
CID 171265714
(1R,2S)-1-amino-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171265717
(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512002
(1S,2R)-1-amino-1-[3-chloro-4-(trifluoromethyl)phenyl]butan-2-ol
CID 171271375
(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171251448
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride
CID 171234863
4-(1-amino-2-methylpropyl)-2-chloroaniline
CID 55271979
(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171234883
[3-chloro-4-(trifluoromethyl)phenyl]-phenylmethanamine;hydrochloride
CID 138986692
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine
CID 171215251
(1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171269007
1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene
CID 164997099

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine?
The IUPAC name of (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine (CID 131415614) is (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine.
What is the SMILES notation for (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine?
The canonical SMILES for (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine is CC(C)[C@@H](N)c1ccc(C(F)(F)F)c(Cl)c1.
What is the InChIKey of (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine?
The InChIKey is YWYNETKUKGYCHK-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13ClF3N/c1-6(2)10(16)7-3-4-8(9(12)5-7)11(13,14)15/h3-6,10H,16H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine?
(1R)-1-[3-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-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine is sourced from PubChem (CID 131415614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).