(1R)-1-(4-bromo-3-chlorophenyl)propan-1-amine

C9H11BrClN — CID 130699468

IUPAC(1R)-1-(4-bromo-3-chlorophenyl)propan-1-amine
SMILESCC[C@@H](N)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H11BrClN/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5,9H,2,12H2,1H3/t9-/m1/s1
InChIKeyINCGXEZAYAFNDC-SECBINFHSA-N
MW248.55 g/mol
LogP3.51
Rot. Bonds2

About (1R)-1-(4-bromo-3-chlorophenyl)propan-1-amine

(1R)-1-(4-bromo-3-chlorophenyl)propan-1-amine (PubChem CID 130699468) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is (1R)-1-(4-bromo-3-chlorophenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-bromo-3-chlorophenyl)propan-1-amine
PubChem CID130699468
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC Name(1R)-1-(4-bromo-3-chlorophenyl)propan-1-amine
SMILESCC[C@@H](N)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H11BrClN/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5,9H,2,12H2,1H3/t9-/m1/s1
InChIKeyINCGXEZAYAFNDC-SECBINFHSA-N
XLogP3.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.55
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-bromo-3-chlorophenyl)ethane-1,2-diamine
CID 130673316
2-amino-2-(4-bromo-3-chlorophenyl)ethanol
CID 77130463
5-[(1S)-1-aminopropyl]-2-bromoaniline
CID 130649492
5-(1-aminopropyl)-2-chloroaniline
CID 67750170
1-(4-chloro-3-methylphenyl)propan-1-amine
CID 15594744
1-(4-bromo-3-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002755
1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 81296108
(2S)-2-amino-2-(4-bromo-3-chlorophenyl)acetonitrile
CID 131057211
1-bromo-2-chloro-4-propan-2-ylbenzene
CID 20739733
1-(4-bromo-3-chlorophenyl)-5,5,5-trifluoropentan-1-amine
CID 105024152
ethyl 2-(4-bromo-3-chlorophenyl)propanoate
CID 105426704
1-(4-bromo-3-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019849

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromo-3-chlorophenyl)propan-1-amine?
The IUPAC name of (1R)-1-(4-bromo-3-chlorophenyl)propan-1-amine (CID 130699468) is (1R)-1-(4-bromo-3-chlorophenyl)propan-1-amine.
What is the SMILES notation for (1R)-1-(4-bromo-3-chlorophenyl)propan-1-amine?
The canonical SMILES for (1R)-1-(4-bromo-3-chlorophenyl)propan-1-amine is CC[C@@H](N)c1ccc(Br)c(Cl)c1.
What is the InChIKey of (1R)-1-(4-bromo-3-chlorophenyl)propan-1-amine?
The InChIKey is INCGXEZAYAFNDC-SECBINFHSA-N. The full InChI is InChI=1S/C9H11BrClN/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5,9H,2,12H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-(4-bromo-3-chlorophenyl)propan-1-amine?
(1R)-1-(4-bromo-3-chlorophenyl)propan-1-amine has a molecular weight of 248.55 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromo-3-chlorophenyl)propan-1-amine is sourced from PubChem (CID 130699468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).