N-[(4-bromophenyl)methyl]ethanamine

C9H12BrN — CID 4716477

IUPACN-[(4-bromophenyl)methyl]ethanamine
SMILESCCNCc1ccc(Br)cc1
InChIInChI=1S/C9H12BrN/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6,11H,2,7H2,1H3
InChIKeyRVGAYUIZZCACIV-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.56
Rot. Bonds3

About N-[(4-bromophenyl)methyl]ethanamine

N-[(4-bromophenyl)methyl]ethanamine (PubChem CID 4716477) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]ethanamine
PubChem CID4716477
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC NameN-[(4-bromophenyl)methyl]ethanamine
SMILESCCNCc1ccc(Br)cc1
InChIInChI=1S/C9H12BrN/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6,11H,2,7H2,1H3
InChIKeyRVGAYUIZZCACIV-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromophenyl)methyl]ethanamine (CID 4716477) is N-[(4-bromophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromophenyl)methyl]ethanamine is CCNCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]ethanamine?
The InChIKey is RVGAYUIZZCACIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6,11H,2,7H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]ethanamine?
N-[(4-bromophenyl)methyl]ethanamine has a molecular weight of 214.11 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]ethanamine is sourced from PubChem (CID 4716477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).