4-(2-amino-1-hydroxypropyl)-2-bromo-3-methylphenol

C10H14BrNO2 — CID 84806446

IUPAC4-(2-amino-1-hydroxypropyl)-2-bromo-3-methylphenol
SMILESCc1c(C(O)C(C)N)ccc(O)c1Br
InChIInChI=1S/C10H14BrNO2/c1-5-7(10(14)6(2)12)3-4-8(13)9(5)11/h3-4,6,10,13-14H,12H2,1-2H3
InChIKeyZSLFBRCUTUSZMQ-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.84
Rot. Bonds2

About 4-(2-amino-1-hydroxypropyl)-2-bromo-3-methylphenol

4-(2-amino-1-hydroxypropyl)-2-bromo-3-methylphenol (PubChem CID 84806446) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 4-(2-amino-1-hydroxypropyl)-2-bromo-3-methylphenol.

Molecular Properties

Compound Name4-(2-amino-1-hydroxypropyl)-2-bromo-3-methylphenol
PubChem CID84806446
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name4-(2-amino-1-hydroxypropyl)-2-bromo-3-methylphenol
SMILESCc1c(C(O)C(C)N)ccc(O)c1Br
InChIInChI=1S/C10H14BrNO2/c1-5-7(10(14)6(2)12)3-4-8(13)9(5)11/h3-4,6,10,13-14H,12H2,1-2H3
InChIKeyZSLFBRCUTUSZMQ-UHFFFAOYSA-N
XLogP1.84
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-aminopropan-2-yl)-2-bromo-3-methylphenol
CID 84802471
4-(2-amino-1-hydroxypropyl)-2-fluorobenzene-1,3-diol
CID 84776108
4-(1-aminoethyl)-2,3-dimethylphenol
CID 82266494
1-(3-bromo-2,4-dimethylphenyl)ethanamine
CID 84792064
2-amino-1-(4-bromo-2,3-difluorophenyl)propan-1-ol
CID 164658455
4-(1-aminoethyl)-2-bromo-3,6-dimethylphenol
CID 84802512
2-[(1R,2S)-2-amino-1-hydroxypropyl]-4-methoxyphenol
CID 130898802
2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol
CID 82623845
2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol
CID 82623849
2-[(1S,2R)-2-amino-1-hydroxypropyl]benzene-1,3-diol
CID 130806183
4-(2-amino-1-hydroxypropyl)-2-methylphenol;hydrochloride
CID 131882584
4-(aminomethyl)-2-bromo-3-methylphenol
CID 84784548

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-hydroxypropyl)-2-bromo-3-methylphenol?
The IUPAC name of 4-(2-amino-1-hydroxypropyl)-2-bromo-3-methylphenol (CID 84806446) is 4-(2-amino-1-hydroxypropyl)-2-bromo-3-methylphenol.
What is the SMILES notation for 4-(2-amino-1-hydroxypropyl)-2-bromo-3-methylphenol?
The canonical SMILES for 4-(2-amino-1-hydroxypropyl)-2-bromo-3-methylphenol is Cc1c(C(O)C(C)N)ccc(O)c1Br.
What is the InChIKey of 4-(2-amino-1-hydroxypropyl)-2-bromo-3-methylphenol?
The InChIKey is ZSLFBRCUTUSZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-5-7(10(14)6(2)12)3-4-8(13)9(5)11/h3-4,6,10,13-14H,12H2,1-2H3.
What are the key properties of 4-(2-amino-1-hydroxypropyl)-2-bromo-3-methylphenol?
4-(2-amino-1-hydroxypropyl)-2-bromo-3-methylphenol has a molecular weight of 260.13 g/mol, XLogP of 1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-hydroxypropyl)-2-bromo-3-methylphenol is sourced from PubChem (CID 84806446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).