[3-(bromomethyl)phenyl]methanamine

C8H10BrN — CID 67540206

IUPAC[3-(bromomethyl)phenyl]methanamine
SMILESNCc1cccc(CBr)c1
InChIInChI=1S/C8H10BrN/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,10H2
InChIKeyRLVCIPWFASWVHQ-UHFFFAOYSA-N
MW200.08 g/mol
LogP2.04
Rot. Bonds2

About [3-(bromomethyl)phenyl]methanamine

[3-(bromomethyl)phenyl]methanamine (PubChem CID 67540206) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is [3-(bromomethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(bromomethyl)phenyl]methanamine
PubChem CID67540206
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name[3-(bromomethyl)phenyl]methanamine
SMILESNCc1cccc(CBr)c1
InChIInChI=1S/C8H10BrN/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,10H2
InChIKeyRLVCIPWFASWVHQ-UHFFFAOYSA-N
XLogP2.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen
CID 145400663
[4-(bromomethyl)phenyl]methanamine
CID 24721042
[3-[(dibenzylamino)methyl]phenyl]methanamine
CID 39147916
[3-(aminomethyl)phenyl]methanamine;boric acid
CID 175765748
2-[3-(aminomethyl)phenyl]ethanamine
CID 67482147
[3-(fluoromethyl)phenyl]methanamine
CID 58789244
(3-bromophenyl)methanamine;hydroiodide
CID 175169219
[3-(aminomethyl)phenyl]methanamine;thiocyanic acid
CID 175054435
phenylmethanamine
CID 19864074
2-[3-(bromomethyl)phenyl]acetamide
CID 151051771
magnesium;(3-bromophenyl)methanamine;dibromide
CID 174355920

Frequently Asked Questions

What is the IUPAC name of [3-(bromomethyl)phenyl]methanamine?
The IUPAC name of [3-(bromomethyl)phenyl]methanamine (CID 67540206) is [3-(bromomethyl)phenyl]methanamine.
What is the SMILES notation for [3-(bromomethyl)phenyl]methanamine?
The canonical SMILES for [3-(bromomethyl)phenyl]methanamine is NCc1cccc(CBr)c1.
What is the InChIKey of [3-(bromomethyl)phenyl]methanamine?
The InChIKey is RLVCIPWFASWVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,10H2.
What are the key properties of [3-(bromomethyl)phenyl]methanamine?
[3-(bromomethyl)phenyl]methanamine has a molecular weight of 200.08 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)phenyl]methanamine is sourced from PubChem (CID 67540206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).