(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride

C10H15ClFNO — CID 171204045

IUPAC(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride
SMILESCc1ccc(F)c([C@H](N)CCO)c1.Cl
InChIInChI=1S/C10H14FNO.ClH/c1-7-2-3-9(11)8(6-7)10(12)4-5-13;/h2-3,6,10,13H,4-5,12H2,1H3;1H/t10-;/m1./s1
InChIKeyDPGGXUZRBLIGCD-HNCPQSOCSA-N
MW219.69 g/mol
LogP1.94
Rot. Bonds3

About (3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride

(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride (PubChem CID 171204045) has the molecular formula C10H15ClFNO and a molecular weight of 219.69 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride
PubChem CID171204045
Molecular FormulaC10H15ClFNO
Molecular Weight219.69 g/mol
Exact Mass219.08
IUPAC Name(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride
SMILESCc1ccc(F)c([C@H](N)CCO)c1.Cl
InChIInChI=1S/C10H14FNO.ClH/c1-7-2-3-9(11)8(6-7)10(12)4-5-13;/h2-3,6,10,13H,4-5,12H2,1H3;1H/t10-;/m1./s1
InChIKeyDPGGXUZRBLIGCD-HNCPQSOCSA-N
XLogP1.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;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)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine
CID 171204011
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propan-1-ol;hydrochloride
CID 171220171
(3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride
CID 171216211
(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171204037
3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-1-ol
CID 84774435
(1S)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine
CID 171223608
(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine
CID 171204036
(1S)-1-(2-fluoro-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171221484
N',N'-diethyl-1-(2-fluoro-5-methylphenyl)propane-1,3-diamine
CID 79086739
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine
CID 105143129

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride (CID 171204045) is (3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride is Cc1ccc(F)c([C@H](N)CCO)c1.Cl.
What is the InChIKey of (3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride?
The InChIKey is DPGGXUZRBLIGCD-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H14FNO.ClH/c1-7-2-3-9(11)8(6-7)10(12)4-5-13;/h2-3,6,10,13H,4-5,12H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride?
(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride has a molecular weight of 219.69 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171204045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).