4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol

C10H14BrNO3 — CID 171226166

IUPAC4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol
SMILESCOc1cc([C@@H](N)CCO)cc(Br)c1O
InChIInChI=1S/C10H14BrNO3/c1-15-9-5-6(8(12)2-3-13)4-7(11)10(9)14/h4-5,8,13-14H,2-3,12H2,1H3/t8-/m0/s1
InChIKeyCEJAWQIYNBFKEY-QMMMGPOBSA-N
MW276.13 g/mol
LogP1.55
Rot. Bonds4

About 4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol

4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol (PubChem CID 171226166) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is 4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol.

Molecular Properties

Compound Name4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol
PubChem CID171226166
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Name4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol
SMILESCOc1cc([C@@H](N)CCO)cc(Br)c1O
InChIInChI=1S/C10H14BrNO3/c1-15-9-5-6(8(12)2-3-13)4-7(11)10(9)14/h4-5,8,13-14H,2-3,12H2,1H3/t8-/m0/s1
InChIKeyCEJAWQIYNBFKEY-QMMMGPOBSA-N
XLogP1.55
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol with MolForge

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Related Compounds

2-bromo-4-[(1S)-1,4-diaminobutyl]-6-methoxyphenol
CID 171226118
4-[(1S)-1-amino-4-methylpentyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171226160
4-[(1R)-1-aminohexyl]-2-bromo-6-methoxyphenol
CID 171206557
4-[(1S)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol
CID 171226153
4-[(1R)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol
CID 171206579
(3S)-3-amino-3-(4-bromo-3,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171221844
4-[(1R)-1-amino-4-hydroxybutyl]-2,6-dimethoxyphenol;hydrochloride
CID 171199826
4-[(1R)-1-amino-3-methylbut-3-enyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171206582
4-[(1R)-1-amino-4-hydroxybutyl]-2-bromo-6-ethoxyphenol
CID 171207508
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171226138
4-[(1S)-1,3-diaminopropyl]-2,6-dimethoxyphenol
CID 171219296
4-(1-amino-2,2-difluoroethyl)-2-bromo-6-methoxyphenol
CID 130062366

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol?
The IUPAC name of 4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol (CID 171226166) is 4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol.
What is the SMILES notation for 4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol?
The canonical SMILES for 4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol is COc1cc([C@@H](N)CCO)cc(Br)c1O.
What is the InChIKey of 4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol?
The InChIKey is CEJAWQIYNBFKEY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14BrNO3/c1-15-9-5-6(8(12)2-3-13)4-7(11)10(9)14/h4-5,8,13-14H,2-3,12H2,1H3/t8-/m0/s1.
What are the key properties of 4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol?
4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol has a molecular weight of 276.13 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol is sourced from PubChem (CID 171226166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).