(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride

C12H16ClF4N — CID 171202601

IUPAC(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)C[C@@H](N)c1ccc(F)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C12H15F4N.ClH/c1-7(2)5-11(17)8-3-4-10(13)9(6-8)12(14,15)16;/h3-4,6-7,11H,5,17H2,1-2H3;1H/t11-;/m1./s1
InChIKeySSOOGYVZOIGJCU-RFVHGSKJSA-N
MW285.71 g/mol
LogP4.31
Rot. Bonds3

About (1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride

(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride (PubChem CID 171202601) has the molecular formula C12H16ClF4N and a molecular weight of 285.71 g/mol. Its IUPAC name is (1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride
PubChem CID171202601
Molecular FormulaC12H16ClF4N
Molecular Weight285.71 g/mol
Exact Mass285.09
IUPAC Name(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)C[C@@H](N)c1ccc(F)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C12H15F4N.ClH/c1-7(2)5-11(17)8-3-4-10(13)9(6-8)12(14,15)16;/h3-4,6-7,11H,5,17H2,1-2H3;1H/t11-;/m1./s1
InChIKeySSOOGYVZOIGJCU-RFVHGSKJSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.71
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171222157
(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171222184
(1S,2R)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpentan-2-ol;hydrochloride
CID 171161307
(1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
CID 131481827
1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine
CID 77277521
(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171202599
(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171222149
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 107291989
(1S)-2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171222160
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 107289462
(1S,2R)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpentan-2-ol;hydrochloride
CID 171267517
methyl (3S)-3-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171240523

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride (CID 171202601) is (1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride is CC(C)C[C@@H](N)c1ccc(F)c(C(F)(F)F)c1.Cl.
What is the InChIKey of (1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride?
The InChIKey is SSOOGYVZOIGJCU-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H15F4N.ClH/c1-7(2)5-11(17)8-3-4-10(13)9(6-8)12(14,15)16;/h3-4,6-7,11H,5,17H2,1-2H3;1H/t11-;/m1./s1.
What are the key properties of (1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride?
(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride has a molecular weight of 285.71 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171202601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).