(1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride

C9H12ClF2N — CID 171204161

IUPAC(1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
SMILESCc1cc([C@H](N)CF)ccc1F.Cl
InChIInChI=1S/C9H11F2N.ClH/c1-6-4-7(9(12)5-10)2-3-8(6)11;/h2-4,9H,5,12H2,1H3;1H/t9-;/m1./s1
InChIKeyBAIYZGHZYRYHBM-SBSPUUFOSA-N
MW207.65 g/mol
LogP2.53
Rot. Bonds2

About (1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride

(1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride (PubChem CID 171204161) has the molecular formula C9H12ClF2N and a molecular weight of 207.65 g/mol. Its IUPAC name is (1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
PubChem CID171204161
Molecular FormulaC9H12ClF2N
Molecular Weight207.65 g/mol
Exact Mass207.06
IUPAC Name(1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
SMILESCc1cc([C@H](N)CF)ccc1F.Cl
InChIInChI=1S/C9H11F2N.ClH/c1-6-4-7(9(12)5-10)2-3-8(6)11;/h2-4,9H,5,12H2,1H3;1H/t9-;/m1./s1
InChIKeyBAIYZGHZYRYHBM-SBSPUUFOSA-N
XLogP2.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.65
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
CID 55278210
(1R)-3,3-difluoro-1-(4-fluoro-3-methylphenyl)propan-1-amine
CID 131295113
1-(4-fluoro-3-methylphenyl)-3-methylbutane-1,3-diamine
CID 116933519
(3R)-3-amino-3-(4-fluoro-3-methylphenyl)propanenitrile
CID 55277483
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346
1-(4-fluoro-3-methylphenyl)octan-1-amine
CID 55186805
1-(4-fluoro-3-methylphenyl)-N'-methylpropane-1,3-diamine
CID 116932886
(1R)-1-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247777
(1S)-1-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241058
(1S)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
CID 171247770
2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 55026181
1-(4-fluoro-3-methylphenyl)-N'-methylmethanediamine
CID 116939268

Frequently Asked Questions

What is the IUPAC name of (1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride (CID 171204161) is (1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride is Cc1cc([C@H](N)CF)ccc1F.Cl.
What is the InChIKey of (1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride?
The InChIKey is BAIYZGHZYRYHBM-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H11F2N.ClH/c1-6-4-7(9(12)5-10)2-3-8(6)11;/h2-4,9H,5,12H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride?
(1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride has a molecular weight of 207.65 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171204161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).