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

C11H14F3N — CID 71134587

IUPAC(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCC(C)[C@H](N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3N/c1-7(2)10(15)8-3-5-9(6-4-8)11(12,13)14/h3-7,10H,15H2,1-2H3/t10-/m0/s1
InChIKeyZIGRFQVTVOTIOG-JTQLQIEISA-N
MW217.23 g/mol
LogP3.36
Rot. Bonds2

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

(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 71134587) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is (1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID71134587
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCC(C)[C@H](N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3N/c1-7(2)10(15)8-3-5-9(6-4-8)11(12,13)14/h3-7,10H,15H2,1-2H3/t10-/m0/s1
InChIKeyZIGRFQVTVOTIOG-JTQLQIEISA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 129373286
(1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171160389
1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 70880900
(1S)-2-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine
CID 171231162
1-[(2S)-3,3-dimethylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 134170918
(2S,3S)-3-amino-1,1,1-trifluoro-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 171161829
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 7129632
(2S)-3-methyl-1,1-bis[4-(trifluoromethyl)phenyl]butane-1,2-diamine
CID 102414149
3,4,4-trimethyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 115852178
(1R)-1-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 45072381
O-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 11805842

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of (1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine (CID 71134587) is (1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for (1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine is CC(C)[C@H](N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is ZIGRFQVTVOTIOG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14F3N/c1-7(2)10(15)8-3-5-9(6-4-8)11(12,13)14/h3-7,10H,15H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine?
(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 217.23 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 71134587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).