(3R)-3-amino-3-(2-bromo-3-methylphenyl)propan-1-ol

C10H14BrNO — CID 130955641

IUPAC(3R)-3-amino-3-(2-bromo-3-methylphenyl)propan-1-ol
SMILESCc1cccc([C@H](N)CCO)c1Br
InChIInChI=1S/C10H14BrNO/c1-7-3-2-4-8(10(7)11)9(12)5-6-13/h2-4,9,13H,5-6,12H2,1H3/t9-/m1/s1
InChIKeyFKADDCPZRPAXOA-SECBINFHSA-N
MW244.13 g/mol
LogP2.14
Rot. Bonds3

About (3R)-3-amino-3-(2-bromo-3-methylphenyl)propan-1-ol

(3R)-3-amino-3-(2-bromo-3-methylphenyl)propan-1-ol (PubChem CID 130955641) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-bromo-3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-bromo-3-methylphenyl)propan-1-ol
PubChem CID130955641
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name(3R)-3-amino-3-(2-bromo-3-methylphenyl)propan-1-ol
SMILESCc1cccc([C@H](N)CCO)c1Br
InChIInChI=1S/C10H14BrNO/c1-7-3-2-4-8(10(7)11)9(12)5-6-13/h2-4,9,13H,5-6,12H2,1H3/t9-/m1/s1
InChIKeyFKADDCPZRPAXOA-SECBINFHSA-N
XLogP2.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol
CID 130664899
1-(2-bromo-3-methylphenyl)-3-methylbut-3-en-1-amine
CID 107985156
(1R)-1-(2-bromo-3-methylphenyl)ethanamine
CID 96955711
1-(2-bromo-3-methylphenyl)-3-methylbutan-1-amine
CID 107984716
(3S)-3-amino-3-(2,6-dimethylphenyl)propan-1-ol
CID 130664971
1-(2-bromo-3-methylphenyl)but-3-yn-1-amine
CID 107984695
1-(2-bromo-3-methylphenyl)-2-ethoxyethanamine
CID 107985181
3-amino-3-(5-bromo-2,4-dimethylphenyl)propan-1-ol
CID 84805874
2-(2-bromo-3-methylphenyl)propan-1-ol
CID 117329757
(3S)-3-amino-3-(3-chloro-2-methylphenyl)propan-1-ol
CID 55272388
(4S)-4-amino-4-(2-methylphenyl)butan-1-ol;hydrochloride
CID 171229471
1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethanamine
CID 107985336

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-bromo-3-methylphenyl)propan-1-ol?
The IUPAC name of (3R)-3-amino-3-(2-bromo-3-methylphenyl)propan-1-ol (CID 130955641) is (3R)-3-amino-3-(2-bromo-3-methylphenyl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(2-bromo-3-methylphenyl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(2-bromo-3-methylphenyl)propan-1-ol is Cc1cccc([C@H](N)CCO)c1Br.
What is the InChIKey of (3R)-3-amino-3-(2-bromo-3-methylphenyl)propan-1-ol?
The InChIKey is FKADDCPZRPAXOA-SECBINFHSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-7-3-2-4-8(10(7)11)9(12)5-6-13/h2-4,9,13H,5-6,12H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-amino-3-(2-bromo-3-methylphenyl)propan-1-ol?
(3R)-3-amino-3-(2-bromo-3-methylphenyl)propan-1-ol has a molecular weight of 244.13 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2-bromo-3-methylphenyl)propan-1-ol is sourced from PubChem (CID 130955641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).