2-(2-amino-3-hydroxypropyl)-4-bromo-6-methoxyphenol;hydrochloride

C10H15BrClNO3 — CID 170891993

IUPAC2-(2-amino-3-hydroxypropyl)-4-bromo-6-methoxyphenol;hydrochloride
SMILESCOc1cc(Br)cc(CC(N)CO)c1O.Cl
InChIInChI=1S/C10H14BrNO3.ClH/c1-15-9-4-7(11)2-6(10(9)14)3-8(12)5-13;/h2,4,8,13-14H,3,5,12H2,1H3;1H
InChIKeyKLQRPBXEHHDLGI-UHFFFAOYSA-N
MW312.59 g/mol
LogP1.45
Rot. Bonds4

About 2-(2-amino-3-hydroxypropyl)-4-bromo-6-methoxyphenol;hydrochloride

2-(2-amino-3-hydroxypropyl)-4-bromo-6-methoxyphenol;hydrochloride (PubChem CID 170891993) has the molecular formula C10H15BrClNO3 and a molecular weight of 312.59 g/mol. Its IUPAC name is 2-(2-amino-3-hydroxypropyl)-4-bromo-6-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-(2-amino-3-hydroxypropyl)-4-bromo-6-methoxyphenol;hydrochloride
PubChem CID170891993
Molecular FormulaC10H15BrClNO3
Molecular Weight312.59 g/mol
Exact Mass310.99
IUPAC Name2-(2-amino-3-hydroxypropyl)-4-bromo-6-methoxyphenol;hydrochloride
SMILESCOc1cc(Br)cc(CC(N)CO)c1O.Cl
InChIInChI=1S/C10H14BrNO3.ClH/c1-15-9-4-7(11)2-6(10(9)14)3-8(12)5-13;/h2,4,8,13-14H,3,5,12H2,1H3;1H
InChIKeyKLQRPBXEHHDLGI-UHFFFAOYSA-N
XLogP1.45
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2-amino-3-hydroxypropyl)-4-bromo-6-methoxyphenol;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

2-(2-amino-3-hydroxypropyl)-4,6-dibromophenol
CID 131025607
2-(2-amino-3-hydroxypropyl)-6-methoxy-4-prop-2-enylphenol;hydrochloride
CID 170893167
2-[(1S)-1-amino-2-fluoroethyl]-4-bromo-6-methoxyphenol;hydrochloride
CID 171212860
2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 176947219
4-bromo-2-[(1R)-1,3-diaminopropyl]-6-methoxyphenol;hydrochloride
CID 171212863
4-(2-amino-3-hydroxypropyl)-2-iodo-6-methoxyphenol
CID 170891887
2-[(1R)-1-amino-4-hydroxybutyl]-4-bromo-6-methoxyphenol
CID 171212914
2-[(1R)-1-amino-3-fluoropropyl]-4-bromo-6-methoxyphenol;hydrochloride
CID 171212888
2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 170891817
4-bromo-2-hexyl-6-methoxyphenol
CID 20721135
4-bromo-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenol
CID 111421705
2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol;hydrochloride
CID 170892242

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-hydroxypropyl)-4-bromo-6-methoxyphenol;hydrochloride?
The IUPAC name of 2-(2-amino-3-hydroxypropyl)-4-bromo-6-methoxyphenol;hydrochloride (CID 170891993) is 2-(2-amino-3-hydroxypropyl)-4-bromo-6-methoxyphenol;hydrochloride.
What is the SMILES notation for 2-(2-amino-3-hydroxypropyl)-4-bromo-6-methoxyphenol;hydrochloride?
The canonical SMILES for 2-(2-amino-3-hydroxypropyl)-4-bromo-6-methoxyphenol;hydrochloride is COc1cc(Br)cc(CC(N)CO)c1O.Cl.
What is the InChIKey of 2-(2-amino-3-hydroxypropyl)-4-bromo-6-methoxyphenol;hydrochloride?
The InChIKey is KLQRPBXEHHDLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3.ClH/c1-15-9-4-7(11)2-6(10(9)14)3-8(12)5-13;/h2,4,8,13-14H,3,5,12H2,1H3;1H.
What are the key properties of 2-(2-amino-3-hydroxypropyl)-4-bromo-6-methoxyphenol;hydrochloride?
2-(2-amino-3-hydroxypropyl)-4-bromo-6-methoxyphenol;hydrochloride has a molecular weight of 312.59 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-hydroxypropyl)-4-bromo-6-methoxyphenol;hydrochloride is sourced from PubChem (CID 170891993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).