[4-(bromomethyl)phenyl]methanamine

C8H10BrN — CID 24721042

IUPAC[4-(bromomethyl)phenyl]methanamine
SMILESNCc1ccc(CBr)cc1
InChIInChI=1S/C8H10BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5-6,10H2
InChIKeyFVFJGQJXAWCHIE-UHFFFAOYSA-N
MW200.08 g/mol
LogP2.04
Rot. Bonds2

About [4-(bromomethyl)phenyl]methanamine

[4-(bromomethyl)phenyl]methanamine (PubChem CID 24721042) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is [4-(bromomethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(bromomethyl)phenyl]methanamine
PubChem CID24721042
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name[4-(bromomethyl)phenyl]methanamine
SMILESNCc1ccc(CBr)cc1
InChIInChI=1S/C8H10BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5-6,10H2
InChIKeyFVFJGQJXAWCHIE-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-(bromomethyl)phenyl]methanamine
CID 67540206
[4-(aminomethyl)phenyl]methanamine;tetrachlorostannane
CID 175880044
ethane;(4-fluorophenyl)methanamine
CID 142071105
[4-[(4-bromophenyl)methyl]phenyl]methanamine
CID 83744886
(4-phosphanylphenyl)methanamine
CID 21334668
CID 57470384
CID 57470384
CID 153380719
CID 153380719
4-(aminomethyl)benzeneselenol
CID 174483296
1-bromo-4-(bromomethyl)benzene;hydrofluoride
CID 175432482
4-(aminomethyl)phenol;ethane;tungsten;hydrate
CID 169128634
(4-dimethylphosphanylphenyl)methanamine;ethane
CID 143900280
phenylmethanamine
CID 19864074

Frequently Asked Questions

What is the IUPAC name of [4-(bromomethyl)phenyl]methanamine?
The IUPAC name of [4-(bromomethyl)phenyl]methanamine (CID 24721042) is [4-(bromomethyl)phenyl]methanamine.
What is the SMILES notation for [4-(bromomethyl)phenyl]methanamine?
The canonical SMILES for [4-(bromomethyl)phenyl]methanamine is NCc1ccc(CBr)cc1.
What is the InChIKey of [4-(bromomethyl)phenyl]methanamine?
The InChIKey is FVFJGQJXAWCHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5-6,10H2.
What are the key properties of [4-(bromomethyl)phenyl]methanamine?
[4-(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 [4-(bromomethyl)phenyl]methanamine is sourced from PubChem (CID 24721042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).