(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride

C10H14ClF2NO — CID 171221010

IUPAC(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
SMILESCOc1ccc([C@@H](N)CCF)cc1F.Cl
InChIInChI=1S/C10H13F2NO.ClH/c1-14-10-3-2-7(6-8(10)12)9(13)4-5-11;/h2-3,6,9H,4-5,13H2,1H3;1H/t9-;/m0./s1
InChIKeyOLSUJVOLCNKZCA-FVGYRXGTSA-N
MW237.68 g/mol
LogP2.62
Rot. Bonds4

About (1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride

(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride (PubChem CID 171221010) has the molecular formula C10H14ClF2NO and a molecular weight of 237.68 g/mol. Its IUPAC name is (1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
PubChem CID171221010
Molecular FormulaC10H14ClF2NO
Molecular Weight237.68 g/mol
Exact Mass237.07
IUPAC Name(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
SMILESCOc1ccc([C@@H](N)CCF)cc1F.Cl
InChIInChI=1S/C10H13F2NO.ClH/c1-14-10-3-2-7(6-8(10)12)9(13)4-5-11;/h2-3,6,9H,4-5,13H2,1H3;1H/t9-;/m0./s1
InChIKeyOLSUJVOLCNKZCA-FVGYRXGTSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.68
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-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

(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
(1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171201487
(1S)-1-(3,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171218870
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
CID 43474211
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 116861391
(1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine
CID 171205851
6-amino-6-(3-fluoro-4-methoxyphenyl)hexanamide
CID 60860844
4-ethylsulfonyl-1-(3-fluoro-4-methoxyphenyl)butan-1-amine
CID 104986185
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116940504
3-ethyl-1-(3-fluoro-4-methoxyphenyl)pentan-1-amine
CID 105028399
1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine
CID 115845654
1-(3-fluoro-4-methoxyphenyl)-2-pentan-2-yloxyethanamine
CID 107524072

Frequently Asked Questions

What is the IUPAC name of (1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride (CID 171221010) is (1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride is COc1ccc([C@@H](N)CCF)cc1F.Cl.
What is the InChIKey of (1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride?
The InChIKey is OLSUJVOLCNKZCA-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H13F2NO.ClH/c1-14-10-3-2-7(6-8(10)12)9(13)4-5-11;/h2-3,6,9H,4-5,13H2,1H3;1H/t9-;/m0./s1.
What are the key properties of (1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride?
(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride has a molecular weight of 237.68 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171221010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).