1-amino-3-(4-fluoro-3-methoxyphenyl)propan-2-ol

C10H14FNO2 — CID 82397890

IUPAC1-amino-3-(4-fluoro-3-methoxyphenyl)propan-2-ol
SMILESCOc1cc(CC(O)CN)ccc1F
InChIInChI=1S/C10H14FNO2/c1-14-10-5-7(2-3-9(10)11)4-8(13)6-12/h2-3,5,8,13H,4,6,12H2,1H3
InChIKeyPPVVFDJUGDUQEI-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.70
Rot. Bonds4

About 1-amino-3-(4-fluoro-3-methoxyphenyl)propan-2-ol

1-amino-3-(4-fluoro-3-methoxyphenyl)propan-2-ol (PubChem CID 82397890) has the molecular formula C10H14FNO2 and a molecular weight of 199.23 g/mol. Its IUPAC name is 1-amino-3-(4-fluoro-3-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(4-fluoro-3-methoxyphenyl)propan-2-ol
PubChem CID82397890
Molecular FormulaC10H14FNO2
Molecular Weight199.23 g/mol
Exact Mass199.10
IUPAC Name1-amino-3-(4-fluoro-3-methoxyphenyl)propan-2-ol
SMILESCOc1cc(CC(O)CN)ccc1F
InChIInChI=1S/C10H14FNO2/c1-14-10-5-7(2-3-9(10)11)4-8(13)6-12/h2-3,5,8,13H,4,6,12H2,1H3
InChIKeyPPVVFDJUGDUQEI-UHFFFAOYSA-N
XLogP0.70
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-3-(4-fluoro-3-methoxyphenyl)propan-2-ol 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

1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol
CID 116859135
1-amino-3-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 112508543
1-(4-fluoro-3-methoxyphenyl)-N-methylpropan-2-amine
CID 69036284
1-amino-3-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol
CID 83442489
1-amino-3-(2-fluoro-6-methoxyphenyl)propan-2-ol
CID 83442464
1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride
CID 67019748
1-amino-3-(4-fluoro-3-methoxyphenyl)butan-2-ol
CID 83909820
1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 79086997
(4-fluoro-3-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 81289069
2-[(4-fluoro-3-methoxyphenyl)methyl]butanal
CID 83834776
3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-ol
CID 114839015
(2S,3S)-2,3-bis[(4-fluoro-3-methoxyphenyl)methyl]hexanedioic acid;(2R,3R)-2,3-bis[(4-fluoro-3-methoxyphenyl)methyl]hexanedioic acid
CID 172869248

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-fluoro-3-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-amino-3-(4-fluoro-3-methoxyphenyl)propan-2-ol (CID 82397890) is 1-amino-3-(4-fluoro-3-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(4-fluoro-3-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-amino-3-(4-fluoro-3-methoxyphenyl)propan-2-ol is COc1cc(CC(O)CN)ccc1F.
What is the InChIKey of 1-amino-3-(4-fluoro-3-methoxyphenyl)propan-2-ol?
The InChIKey is PPVVFDJUGDUQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-14-10-5-7(2-3-9(10)11)4-8(13)6-12/h2-3,5,8,13H,4,6,12H2,1H3.
What are the key properties of 1-amino-3-(4-fluoro-3-methoxyphenyl)propan-2-ol?
1-amino-3-(4-fluoro-3-methoxyphenyl)propan-2-ol has a molecular weight of 199.23 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-fluoro-3-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 82397890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).