[2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine

C17H21BrN2 — CID 145124242

IUPAC[2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine
SMILESCCc1cccc(CN)c1-c1cc(CBr)ccc1CN
InChIInChI=1S/C17H21BrN2/c1-2-13-4-3-5-15(11-20)17(13)16-8-12(9-18)6-7-14(16)10-19/h3-8H,2,9-11,19-20H2,1H3
InChIKeyBCHZGOVYKXGEMA-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.73
Rot. Bonds5

About [2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine

[2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine (PubChem CID 145124242) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is [2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine
PubChem CID145124242
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name[2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine
SMILESCCc1cccc(CN)c1-c1cc(CBr)ccc1CN
InChIInChI=1S/C17H21BrN2/c1-2-13-4-3-5-15(11-20)17(13)16-8-12(9-18)6-7-14(16)10-19/h3-8H,2,9-11,19-20H2,1H3
InChIKeyBCHZGOVYKXGEMA-UHFFFAOYSA-N
XLogP3.73
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine?
The IUPAC name of [2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine (CID 145124242) is [2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine.
What is the SMILES notation for [2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine?
The canonical SMILES for [2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine is CCc1cccc(CN)c1-c1cc(CBr)ccc1CN.
What is the InChIKey of [2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine?
The InChIKey is BCHZGOVYKXGEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-2-13-4-3-5-15(11-20)17(13)16-8-12(9-18)6-7-14(16)10-19/h3-8H,2,9-11,19-20H2,1H3.
What are the key properties of [2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine?
[2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine has a molecular weight of 333.27 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine is sourced from PubChem (CID 145124242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).