3-(5-bromo-4-chloro-2-methylphenyl)propan-1-amine

C10H13BrClN — CID 84807112

IUPAC3-(5-bromo-4-chloro-2-methylphenyl)propan-1-amine
SMILESCc1cc(Cl)c(Br)cc1CCCN
InChIInChI=1S/C10H13BrClN/c1-7-5-10(12)9(11)6-8(7)3-2-4-13/h5-6H,2-4,13H2,1H3
InChIKeyZXUWXHJDODZSAB-UHFFFAOYSA-N
MW262.58 g/mol
LogP3.30
Rot. Bonds3

About 3-(5-bromo-4-chloro-2-methylphenyl)propan-1-amine

3-(5-bromo-4-chloro-2-methylphenyl)propan-1-amine (PubChem CID 84807112) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is 3-(5-bromo-4-chloro-2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-4-chloro-2-methylphenyl)propan-1-amine
PubChem CID84807112
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name3-(5-bromo-4-chloro-2-methylphenyl)propan-1-amine
SMILESCc1cc(Cl)c(Br)cc1CCCN
InChIInChI=1S/C10H13BrClN/c1-7-5-10(12)9(11)6-8(7)3-2-4-13/h5-6H,2-4,13H2,1H3
InChIKeyZXUWXHJDODZSAB-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.58
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-4-chloro-2-methylphenyl)ethanamine
CID 84803605
3-(4-bromo-2,5-dimethylphenyl)propan-1-amine
CID 84801554
5-(3-aminopropyl)-2-chloro-4-methylphenol
CID 84775584
3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284469
6-(2-chloro-4,5-dimethylphenyl)hexan-1-amine
CID 115485082
3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine
CID 95447725
6-(3-aminopropyl)-4-bromo-2,3-dimethylphenol
CID 83901624
1,5-dibromo-2-chloro-4-methylbenzene
CID 18927059
4-(4-chloro-2-methylphenyl)butan-1-amine
CID 82282107
3-(5-chloro-2-fluoro-3-methylphenyl)propan-1-amine
CID 84776580
2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine
CID 59994499
3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine
CID 117307547

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4-chloro-2-methylphenyl)propan-1-amine?
The IUPAC name of 3-(5-bromo-4-chloro-2-methylphenyl)propan-1-amine (CID 84807112) is 3-(5-bromo-4-chloro-2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(5-bromo-4-chloro-2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(5-bromo-4-chloro-2-methylphenyl)propan-1-amine is Cc1cc(Cl)c(Br)cc1CCCN.
What is the InChIKey of 3-(5-bromo-4-chloro-2-methylphenyl)propan-1-amine?
The InChIKey is ZXUWXHJDODZSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN/c1-7-5-10(12)9(11)6-8(7)3-2-4-13/h5-6H,2-4,13H2,1H3.
What are the key properties of 3-(5-bromo-4-chloro-2-methylphenyl)propan-1-amine?
3-(5-bromo-4-chloro-2-methylphenyl)propan-1-amine has a molecular weight of 262.58 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4-chloro-2-methylphenyl)propan-1-amine is sourced from PubChem (CID 84807112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).