(2R)-1-[(4-bromo-3-methylphenyl)methylamino]propan-2-ol

C11H16BrNO — CID 95932159

IUPAC(2R)-1-[(4-bromo-3-methylphenyl)methylamino]propan-2-ol
SMILESCc1cc(CNC[C@@H](C)O)ccc1Br
InChIInChI=1S/C11H16BrNO/c1-8-5-10(3-4-11(8)12)7-13-6-9(2)14/h3-5,9,13-14H,6-7H2,1-2H3/t9-/m1/s1
InChIKeyMULGVAHKLIOIHK-SECBINFHSA-N
MW258.16 g/mol
LogP2.23
Rot. Bonds4

About (2R)-1-[(4-bromo-3-methylphenyl)methylamino]propan-2-ol

(2R)-1-[(4-bromo-3-methylphenyl)methylamino]propan-2-ol (PubChem CID 95932159) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is (2R)-1-[(4-bromo-3-methylphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(4-bromo-3-methylphenyl)methylamino]propan-2-ol
PubChem CID95932159
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name(2R)-1-[(4-bromo-3-methylphenyl)methylamino]propan-2-ol
SMILESCc1cc(CNC[C@@H](C)O)ccc1Br
InChIInChI=1S/C11H16BrNO/c1-8-5-10(3-4-11(8)12)7-13-6-9(2)14/h3-5,9,13-14H,6-7H2,1-2H3/t9-/m1/s1
InChIKeyMULGVAHKLIOIHK-SECBINFHSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-1-[(4-bromo-3-methylphenyl)methylamino]propan-2-ol 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

N-[(4-bromo-3-methylphenyl)methyl]-2-methylpropan-1-amine
CID 66472971
1-[(3,4-dimethylphenyl)methylamino]propan-2-ol
CID 43220826
3-[(4-bromo-3-methylphenyl)methylamino]propane-1,2-diol
CID 66473650
(2R)-1-[(4-bromo-3-methylphenyl)methylamino]-3-methoxypropan-2-ol
CID 97044790
N-[(4-bromo-3-methylphenyl)methyl]-2-ethoxypropan-1-amine
CID 115668244
N-[(4-bromo-3-methylphenyl)methyl]-3-methylbutan-2-amine
CID 66472384
1-[(4-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290382
N-[(4-bromo-3-methylphenyl)methyl]-2-methylpentan-3-amine
CID 66472030
N-[(4-bromo-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine
CID 66472165
(2S)-2-N-[(4-bromo-3-methylphenyl)methyl]propane-1,2-diamine
CID 104867673
(2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol
CID 93083077
1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17293833

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-bromo-3-methylphenyl)methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[(4-bromo-3-methylphenyl)methylamino]propan-2-ol (CID 95932159) is (2R)-1-[(4-bromo-3-methylphenyl)methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(4-bromo-3-methylphenyl)methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[(4-bromo-3-methylphenyl)methylamino]propan-2-ol is Cc1cc(CNC[C@@H](C)O)ccc1Br.
What is the InChIKey of (2R)-1-[(4-bromo-3-methylphenyl)methylamino]propan-2-ol?
The InChIKey is MULGVAHKLIOIHK-SECBINFHSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-8-5-10(3-4-11(8)12)7-13-6-9(2)14/h3-5,9,13-14H,6-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-1-[(4-bromo-3-methylphenyl)methylamino]propan-2-ol?
(2R)-1-[(4-bromo-3-methylphenyl)methylamino]propan-2-ol has a molecular weight of 258.16 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-bromo-3-methylphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 95932159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).