1-(3-bromophenyl)-N-chloromethanamine

C7H7BrClN — CID 90399369

IUPAC1-(3-bromophenyl)-N-chloromethanamine
SMILESClNCc1cccc(Br)c1
InChIInChI=1S/C7H7BrClN/c8-7-3-1-2-6(4-7)5-10-9/h1-4,10H,5H2
InChIKeyNWSOLYLPAMCBIE-UHFFFAOYSA-N
MW220.50 g/mol
LogP2.69
Rot. Bonds2

About 1-(3-bromophenyl)-N-chloromethanamine

1-(3-bromophenyl)-N-chloromethanamine (PubChem CID 90399369) has the molecular formula C7H7BrClN and a molecular weight of 220.50 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-chloromethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-chloromethanamine
PubChem CID90399369
Molecular FormulaC7H7BrClN
Molecular Weight220.50 g/mol
Exact Mass218.95
IUPAC Name1-(3-bromophenyl)-N-chloromethanamine
SMILESClNCc1cccc(Br)c1
InChIInChI=1S/C7H7BrClN/c8-7-3-1-2-6(4-7)5-10-9/h1-4,10H,5H2
InChIKeyNWSOLYLPAMCBIE-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

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2-[(3-bromophenyl)methylamino]ethanol chloride
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1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
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2-[(3-bromophenyl)methylamino]ethanol;hydrochloride
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trans-(1S,2S)-1-N,2-N-bis[(3-bromophenyl)methyl]cyclohexane-1,2-diamine
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N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-chloromethanamine?
The IUPAC name of 1-(3-bromophenyl)-N-chloromethanamine (CID 90399369) is 1-(3-bromophenyl)-N-chloromethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-chloromethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-chloromethanamine is ClNCc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-chloromethanamine?
The InChIKey is NWSOLYLPAMCBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClN/c8-7-3-1-2-6(4-7)5-10-9/h1-4,10H,5H2.
What are the key properties of 1-(3-bromophenyl)-N-chloromethanamine?
1-(3-bromophenyl)-N-chloromethanamine has a molecular weight of 220.50 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-chloromethanamine is sourced from PubChem (CID 90399369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).