N-[(2-bromo-4-chlorophenyl)methyl]ethanamine

C9H11BrClN — CID 81497013

IUPACN-[(2-bromo-4-chlorophenyl)methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1Br
InChIInChI=1S/C9H11BrClN/c1-2-12-6-7-3-4-8(11)5-9(7)10/h3-5,12H,2,6H2,1H3
InChIKeyJPUJFTNQLSSGKU-UHFFFAOYSA-N
MW248.55 g/mol
LogP3.21
Rot. Bonds3

About N-[(2-bromo-4-chlorophenyl)methyl]ethanamine

N-[(2-bromo-4-chlorophenyl)methyl]ethanamine (PubChem CID 81497013) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is N-[(2-bromo-4-chlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-chlorophenyl)methyl]ethanamine
PubChem CID81497013
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC NameN-[(2-bromo-4-chlorophenyl)methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1Br
InChIInChI=1S/C9H11BrClN/c1-2-12-6-7-3-4-8(11)5-9(7)10/h3-5,12H,2,6H2,1H3
InChIKeyJPUJFTNQLSSGKU-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.55
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-4-chlorophenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103460580
N-[(2-bromo-4-chlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 81495683
(2S)-4-[(2-bromo-4-chlorophenyl)methylamino]butan-2-ol
CID 97357963
6-[(2-bromo-4-chlorophenyl)methylamino]hexan-1-ol
CID 103924152
N-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 75361237
N-[(2-bromo-4-chlorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine
CID 81497827
N-[[1-[(2-bromo-4-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 81490395
N-[(2-bromo-4-chlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115742344
N'-[(2-bromo-4-chlorophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 107987659
1-N-[(2-bromo-4-chlorophenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 81494425
N-[(2-bromo-4-chlorophenyl)methyl]-5-methylhexan-1-amine
CID 115324662
2-[2-[(2-bromo-4-chlorophenyl)methylamino]ethoxy]ethanol
CID 81496345

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-chlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-4-chlorophenyl)methyl]ethanamine (CID 81497013) is N-[(2-bromo-4-chlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-4-chlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-4-chlorophenyl)methyl]ethanamine is CCNCc1ccc(Cl)cc1Br.
What is the InChIKey of N-[(2-bromo-4-chlorophenyl)methyl]ethanamine?
The InChIKey is JPUJFTNQLSSGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN/c1-2-12-6-7-3-4-8(11)5-9(7)10/h3-5,12H,2,6H2,1H3.
What are the key properties of N-[(2-bromo-4-chlorophenyl)methyl]ethanamine?
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine has a molecular weight of 248.55 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-chlorophenyl)methyl]ethanamine is sourced from PubChem (CID 81497013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).