(4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride

C11H17ClFNO2 — CID 171209672

IUPAC(4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride
SMILESCOc1ccc(F)c([C@H](N)CCCO)c1.Cl
InChIInChI=1S/C11H16FNO2.ClH/c1-15-8-4-5-10(12)9(7-8)11(13)3-2-6-14;/h4-5,7,11,14H,2-3,6,13H2,1H3;1H/t11-;/m1./s1
InChIKeyAIFATHPJYJWQPJ-RFVHGSKJSA-N
MW249.71 g/mol
LogP2.03
Rot. Bonds5

About (4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride

(4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride (PubChem CID 171209672) has the molecular formula C11H17ClFNO2 and a molecular weight of 249.71 g/mol. Its IUPAC name is (4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride
PubChem CID171209672
Molecular FormulaC11H17ClFNO2
Molecular Weight249.71 g/mol
Exact Mass249.09
IUPAC Name(4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride
SMILESCOc1ccc(F)c([C@H](N)CCCO)c1.Cl
InChIInChI=1S/C11H16FNO2.ClH/c1-15-8-4-5-10(12)9(7-8)11(13)3-2-6-14;/h4-5,7,11,14H,2-3,6,13H2,1H3;1H/t11-;/m1./s1
InChIKeyAIFATHPJYJWQPJ-RFVHGSKJSA-N
XLogP2.03
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.71
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-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

(4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol
CID 171219632
(1R)-1-(2-fluoro-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171209636
(2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171229266
(1S)-1-(2-fluoro-5-methoxyphenyl)propane-1,3-diamine
CID 171229223
(1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine
CID 171229236
(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171200259
(1S)-4,4,4-trifluoro-1-(2-fluoro-5-methoxyphenyl)butan-1-amine;hydrochloride
CID 171229245
(4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride
CID 171213822
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
(1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride
CID 126531407
(1R)-1-(2-fluoro-5-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171209640
4-amino-4-(2,5-difluorophenyl)butan-1-ol
CID 116861415

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride?
The IUPAC name of (4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride (CID 171209672) is (4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride.
What is the SMILES notation for (4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride?
The canonical SMILES for (4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride is COc1ccc(F)c([C@H](N)CCCO)c1.Cl.
What is the InChIKey of (4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride?
The InChIKey is AIFATHPJYJWQPJ-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H16FNO2.ClH/c1-15-8-4-5-10(12)9(7-8)11(13)3-2-6-14;/h4-5,7,11,14H,2-3,6,13H2,1H3;1H/t11-;/m1./s1.
What are the key properties of (4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride?
(4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride has a molecular weight of 249.71 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride is sourced from PubChem (CID 171209672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).