(1R)-1-(2-bromo-6-methylphenyl)propan-1-amine

C10H14BrN — CID 130632394

IUPAC(1R)-1-(2-bromo-6-methylphenyl)propan-1-amine
SMILESCC[C@@H](N)c1c(C)cccc1Br
InChIInChI=1S/C10H14BrN/c1-3-9(12)10-7(2)5-4-6-8(10)11/h4-6,9H,3,12H2,1-2H3/t9-/m1/s1
InChIKeyCZSMHOCYEJTPLF-SECBINFHSA-N
MW228.13 g/mol
LogP3.17
Rot. Bonds2

About (1R)-1-(2-bromo-6-methylphenyl)propan-1-amine

(1R)-1-(2-bromo-6-methylphenyl)propan-1-amine (PubChem CID 130632394) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is (1R)-1-(2-bromo-6-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-bromo-6-methylphenyl)propan-1-amine
PubChem CID130632394
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name(1R)-1-(2-bromo-6-methylphenyl)propan-1-amine
SMILESCC[C@@H](N)c1c(C)cccc1Br
InChIInChI=1S/C10H14BrN/c1-3-9(12)10-7(2)5-4-6-8(10)11/h4-6,9H,3,12H2,1-2H3/t9-/m1/s1
InChIKeyCZSMHOCYEJTPLF-SECBINFHSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dimethylphenyl)propan-1-amine
CID 55282920
2-amino-2-(2-bromo-6-methylphenyl)ethanol
CID 130062182
2-[(1R)-1-aminopropyl]-3-methylphenol
CID 130648593
1-bromo-2-(difluoromethyl)-3-methylbenzene
CID 84686328
1-(2,6-dimethylphenyl)butan-1-amine
CID 55283008
1-(2-bromo-6-fluorophenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 114886689
1-(2,6-dimethylphenyl)-2-fluoroethanamine
CID 130061517
1-(2-bromo-3-methylphenyl)-2-ethoxyethanamine
CID 107985181
(1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine
CID 131190372
1-(2-iodo-3-methylphenyl)propan-1-amine
CID 103846034
1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene
CID 14113190
1-(3-bromo-2,4,6-trimethylphenyl)propan-1-amine
CID 82630244

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-6-methylphenyl)propan-1-amine?
The IUPAC name of (1R)-1-(2-bromo-6-methylphenyl)propan-1-amine (CID 130632394) is (1R)-1-(2-bromo-6-methylphenyl)propan-1-amine.
What is the SMILES notation for (1R)-1-(2-bromo-6-methylphenyl)propan-1-amine?
The canonical SMILES for (1R)-1-(2-bromo-6-methylphenyl)propan-1-amine is CC[C@@H](N)c1c(C)cccc1Br.
What is the InChIKey of (1R)-1-(2-bromo-6-methylphenyl)propan-1-amine?
The InChIKey is CZSMHOCYEJTPLF-SECBINFHSA-N. The full InChI is InChI=1S/C10H14BrN/c1-3-9(12)10-7(2)5-4-6-8(10)11/h4-6,9H,3,12H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-(2-bromo-6-methylphenyl)propan-1-amine?
(1R)-1-(2-bromo-6-methylphenyl)propan-1-amine has a molecular weight of 228.13 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-6-methylphenyl)propan-1-amine is sourced from PubChem (CID 130632394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).