4-bromo-3-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]phenol

C10H14BrNO2 — CID 103816362

IUPAC4-bromo-3-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]phenol
SMILESC[C@@H](CO)NCc1cc(O)ccc1Br
InChIInChI=1S/C10H14BrNO2/c1-7(6-13)12-5-8-4-9(14)2-3-10(8)11/h2-4,7,12-14H,5-6H2,1H3/t7-/m0/s1
InChIKeyZOCHFANGHWOSHE-ZETCQYMHSA-N
MW260.13 g/mol
LogP1.63
Rot. Bonds4

About 4-bromo-3-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]phenol

4-bromo-3-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]phenol (PubChem CID 103816362) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 4-bromo-3-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]phenol.

Molecular Properties

Compound Name4-bromo-3-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]phenol
PubChem CID103816362
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name4-bromo-3-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]phenol
SMILESC[C@@H](CO)NCc1cc(O)ccc1Br
InChIInChI=1S/C10H14BrNO2/c1-7(6-13)12-5-8-4-9(14)2-3-10(8)11/h2-4,7,12-14H,5-6H2,1H3/t7-/m0/s1
InChIKeyZOCHFANGHWOSHE-ZETCQYMHSA-N
XLogP1.63
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-bromo-3-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]phenol 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-[(2,4-dibromophenyl)methylamino]propan-1-ol
CID 107938737
2-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]propan-1-ol
CID 43499428
4-[(1-hydroxypropan-2-ylamino)methyl]phenol
CID 43499774
2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol
CID 114985567
4-bromo-3-(2-hydroxypropyl)phenol
CID 117333494
2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol
CID 95379080
4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]phenol
CID 54902136
4-bromo-3-(3-hydroxypropyl)phenol
CID 66845048
2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-4,5-dimethylphenol
CID 103698714
2-[(5-bromo-2-methoxyphenyl)methylamino]propan-1-ol
CID 43499460
(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol
CID 93083054
(2R)-2-[(3-bromo-4-chlorophenyl)methylamino]propan-1-ol
CID 114987242

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]phenol?
The IUPAC name of 4-bromo-3-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]phenol (CID 103816362) is 4-bromo-3-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]phenol.
What is the SMILES notation for 4-bromo-3-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]phenol?
The canonical SMILES for 4-bromo-3-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]phenol is C[C@@H](CO)NCc1cc(O)ccc1Br.
What is the InChIKey of 4-bromo-3-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]phenol?
The InChIKey is ZOCHFANGHWOSHE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-7(6-13)12-5-8-4-9(14)2-3-10(8)11/h2-4,7,12-14H,5-6H2,1H3/t7-/m0/s1.
What are the key properties of 4-bromo-3-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]phenol?
4-bromo-3-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]phenol has a molecular weight of 260.13 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]phenol is sourced from PubChem (CID 103816362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).