(1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride

C10H13ClF3N — CID 171209879

IUPAC(1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
SMILESCc1cccc([C@H](N)CC(F)(F)F)c1.Cl
InChIInChI=1S/C10H12F3N.ClH/c1-7-3-2-4-8(5-7)9(14)6-10(11,12)13;/h2-5,9H,6,14H2,1H3;1H/t9-;/m1./s1
InChIKeyMXGLFSJHNCYKJX-SBSPUUFOSA-N
MW239.67 g/mol
LogP3.37
Rot. Bonds2

About (1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride

(1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride (PubChem CID 171209879) has the molecular formula C10H13ClF3N and a molecular weight of 239.67 g/mol. Its IUPAC name is (1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
PubChem CID171209879
Molecular FormulaC10H13ClF3N
Molecular Weight239.67 g/mol
Exact Mass239.07
IUPAC Name(1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
SMILESCc1cccc([C@H](N)CC(F)(F)F)c1.Cl
InChIInChI=1S/C10H12F3N.ClH/c1-7-3-2-4-8(5-7)9(14)6-10(11,12)13;/h2-5,9H,6,14H2,1H3;1H/t9-;/m1./s1
InChIKeyMXGLFSJHNCYKJX-SBSPUUFOSA-N
XLogP3.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine
CID 156724875
(1R)-3,3,3-trifluoro-1-(3-phenylphenyl)propan-1-amine;hydrochloride
CID 171214587
(1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209882
3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine
CID 61392780
(1S)-3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine;hydrochloride
CID 171220071
methyl 3-[(1S)-1-amino-3,3,3-trifluoropropyl]benzoate;hydrochloride
CID 171233377
[3-[(1S)-1-amino-3,3,3-trifluoropropyl]phenyl] acetate;hydrochloride
CID 171229347
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
(3S)-3-amino-3-(3-methylphenyl)propanenitrile;hydrochloride
CID 171260081
(4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride
CID 171209897
3,3,3-trifluoro-1-(3-phenoxyphenyl)propan-1-amine
CID 112693450
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171249716

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride (CID 171209879) is (1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride is Cc1cccc([C@H](N)CC(F)(F)F)c1.Cl.
What is the InChIKey of (1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride?
The InChIKey is MXGLFSJHNCYKJX-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H12F3N.ClH/c1-7-3-2-4-8(5-7)9(14)6-10(11,12)13;/h2-5,9H,6,14H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride?
(1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride has a molecular weight of 239.67 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171209879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).