(1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol

C9H12BrNO — CID 59964195

IUPAC(1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol
SMILESCc1ccc([C@@H](O)CBr)cc1N
InChIInChI=1S/C9H12BrNO/c1-6-2-3-7(4-8(6)11)9(12)5-10/h2-4,9,12H,5,11H2,1H3/t9-/m0/s1
InChIKeyCKFPFOPUCZUKFQ-VIFPVBQESA-N
MW230.10 g/mol
LogP2.01
Rot. Bonds2

About (1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol

(1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol (PubChem CID 59964195) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is (1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol.

Molecular Properties

Compound Name(1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol
PubChem CID59964195
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name(1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol
SMILESCc1ccc([C@@H](O)CBr)cc1N
InChIInChI=1S/C9H12BrNO/c1-6-2-3-7(4-8(6)11)9(12)5-10/h2-4,9,12H,5,11H2,1H3/t9-/m0/s1
InChIKeyCKFPFOPUCZUKFQ-VIFPVBQESA-N
XLogP2.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol
CID 82071614
(R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804028
1-(3-amino-4-methylphenyl)-2-[tert-butyl(ethyl)amino]ethanol
CID 82071565
1-(3-amino-4-methylphenyl)-2-(4-chloroanilino)ethanol
CID 133108525
methyl 5-[(1R)-2-bromo-1-hydroxyethyl]-2-methylbenzoate
CID 58100133
2-methyl-5-propan-2-ylaniline;hydrochloride
CID 70565459
1-(3-amino-4-methylphenyl)-3-[butyl(methyl)amino]propan-1-ol
CID 82136110
1-(3-amino-4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanol
CID 82070794
1-(4-amino-3-methylphenyl)-3-bromopropane-1,2-diol
CID 171859705
1-(4-amino-3-methylphenyl)butan-1-ol
CID 164664307
5-(1-fluoroethyl)-2-methylaniline
CID 84649805
1-(3-amino-4-methylphenyl)-3-(2,6-dimethylpiperidin-1-yl)propan-1-ol
CID 82136088

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol?
The IUPAC name of (1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol (CID 59964195) is (1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol.
What is the SMILES notation for (1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol?
The canonical SMILES for (1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol is Cc1ccc([C@@H](O)CBr)cc1N.
What is the InChIKey of (1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol?
The InChIKey is CKFPFOPUCZUKFQ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H12BrNO/c1-6-2-3-7(4-8(6)11)9(12)5-10/h2-4,9,12H,5,11H2,1H3/t9-/m0/s1.
What are the key properties of (1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol?
(1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol has a molecular weight of 230.10 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol is sourced from PubChem (CID 59964195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).