(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride

C11H15ClF3N — CID 170986461

IUPAC(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
SMILESCC(C)[C@@H](N)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C11H14F3N.ClH/c1-7(2)10(15)8-4-3-5-9(6-8)11(12,13)14;/h3-7,10H,15H2,1-2H3;1H/t10-;/m1./s1
InChIKeyCGDACQBNYOENGQ-HNCPQSOCSA-N
MW253.70 g/mol
LogP3.78
Rot. Bonds2

About (1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride

(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride (PubChem CID 170986461) has the molecular formula C11H15ClF3N and a molecular weight of 253.70 g/mol. Its IUPAC name is (1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
PubChem CID170986461
Molecular FormulaC11H15ClF3N
Molecular Weight253.70 g/mol
Exact Mass253.08
IUPAC Name(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
SMILESCC(C)[C@@H](N)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C11H14F3N.ClH/c1-7(2)10(15)8-4-3-5-9(6-8)11(12,13)14;/h3-7,10H,15H2,1-2H3;1H/t10-;/m1./s1
InChIKeyCGDACQBNYOENGQ-HNCPQSOCSA-N
XLogP3.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.70
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 129052960
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine
CID 79298392
N',N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 171035691
1-(2-methyl-1-nitrosopropyl)-3-(trifluoromethyl)benzene
CID 123680621
1-fluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 105495799
2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 166520305
O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 10899748
(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 71134587
(1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171226375
2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64634045
(2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 97052338

Frequently Asked Questions

What is the IUPAC name of (1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
The IUPAC name of (1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride (CID 170986461) is (1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride is CC(C)[C@@H](N)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of (1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
The InChIKey is CGDACQBNYOENGQ-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H14F3N.ClH/c1-7(2)10(15)8-4-3-5-9(6-8)11(12,13)14;/h3-7,10H,15H2,1-2H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride?
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride has a molecular weight of 253.70 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 170986461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).