(4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride

C12H20ClNO2 — CID 171233352

IUPAC(4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride
SMILESCOc1ccc([C@@H](N)CCCO)cc1C.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-9-8-10(5-6-12(9)15-2)11(13)4-3-7-14;/h5-6,8,11,14H,3-4,7,13H2,1-2H3;1H/t11-;/m0./s1
InChIKeyUHXNJHKPYCSCLC-MERQFXBCSA-N
MW245.75 g/mol
LogP2.20
Rot. Bonds5

About (4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride

(4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride (PubChem CID 171233352) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is (4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride
PubChem CID171233352
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name(4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride
SMILESCOc1ccc([C@@H](N)CCCO)cc1C.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-9-8-10(5-6-12(9)15-2)11(13)4-3-7-14;/h5-6,8,11,14H,3-4,7,13H2,1-2H3;1H/t11-;/m0./s1
InChIKeyUHXNJHKPYCSCLC-MERQFXBCSA-N
XLogP2.20
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-4-amino-4-(4-methoxy-3-methylphenyl)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

(3R)-3-amino-3-(4-methoxy-3-methylphenyl)propan-1-ol
CID 55265729
(4S)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride
CID 171225064
(4R)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol;hydrochloride
CID 171205490
(4S)-4-amino-4-(3-methoxy-4-methylphenyl)butan-1-ol
CID 171225063
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 116861391
1-(4-methoxy-3-methylphenyl)decan-1-amine
CID 65448006
(4S)-4-amino-4-(4-ethoxy-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171231868
(4S)-4-amino-4-(4-chloro-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171230755
(4R)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171205896
3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 132961318
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362
(4S)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol
CID 171225472

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride?
The IUPAC name of (4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride (CID 171233352) is (4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride.
What is the SMILES notation for (4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride?
The canonical SMILES for (4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride is COc1ccc([C@@H](N)CCCO)cc1C.Cl.
What is the InChIKey of (4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride?
The InChIKey is UHXNJHKPYCSCLC-MERQFXBCSA-N. The full InChI is InChI=1S/C12H19NO2.ClH/c1-9-8-10(5-6-12(9)15-2)11(13)4-3-7-14;/h5-6,8,11,14H,3-4,7,13H2,1-2H3;1H/t11-;/m0./s1.
What are the key properties of (4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride?
(4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride is sourced from PubChem (CID 171233352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).