2-(bromomethyl)-N,3-dimethyl-N-[(4-methylphenyl)methyl]butan-1-amine

C15H24BrN — CID 65011782

IUPAC2-(bromomethyl)-N,3-dimethyl-N-[(4-methylphenyl)methyl]butan-1-amine
SMILESCc1ccc(CN(C)CC(CBr)C(C)C)cc1
InChIInChI=1S/C15H24BrN/c1-12(2)15(9-16)11-17(4)10-14-7-5-13(3)6-8-14/h5-8,12,15H,9-11H2,1-4H3
InChIKeyVRPHJWRBWDLEOG-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.09
Rot. Bonds6

About 2-(bromomethyl)-N,3-dimethyl-N-[(4-methylphenyl)methyl]butan-1-amine

2-(bromomethyl)-N,3-dimethyl-N-[(4-methylphenyl)methyl]butan-1-amine (PubChem CID 65011782) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-(bromomethyl)-N,3-dimethyl-N-[(4-methylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N,3-dimethyl-N-[(4-methylphenyl)methyl]butan-1-amine
PubChem CID65011782
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name2-(bromomethyl)-N,3-dimethyl-N-[(4-methylphenyl)methyl]butan-1-amine
SMILESCc1ccc(CN(C)CC(CBr)C(C)C)cc1
InChIInChI=1S/C15H24BrN/c1-12(2)15(9-16)11-17(4)10-14-7-5-13(3)6-8-14/h5-8,12,15H,9-11H2,1-4H3
InChIKeyVRPHJWRBWDLEOG-UHFFFAOYSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-N,3-dimethyl-N-[(3-methylphenyl)methyl]butan-1-amine
CID 65011843
N-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 115261992
3-methyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]butanenitrile
CID 115254538
methyl 2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 43398385
N'-methyl-N-(3-methylbutan-2-yl)-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 55085477
2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanethioamide
CID 43175002
3-methoxy-N-methyl-N-[(4-methylphenyl)methyl]butan-1-amine
CID 123976999
[methyl-[(4-methylphenyl)methyl]amino]methanethiol
CID 115228025
N'-methyl-N'-[(4-methylphenyl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 115287665
2-(bromomethyl)-N-[(4-fluorophenyl)methyl]-N,3,3-trimethylbutan-1-amine
CID 65015939
1-(cyclopropylamino)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-2-ol
CID 43165876
N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine
CID 58518810

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N,3-dimethyl-N-[(4-methylphenyl)methyl]butan-1-amine?
The IUPAC name of 2-(bromomethyl)-N,3-dimethyl-N-[(4-methylphenyl)methyl]butan-1-amine (CID 65011782) is 2-(bromomethyl)-N,3-dimethyl-N-[(4-methylphenyl)methyl]butan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N,3-dimethyl-N-[(4-methylphenyl)methyl]butan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N,3-dimethyl-N-[(4-methylphenyl)methyl]butan-1-amine is Cc1ccc(CN(C)CC(CBr)C(C)C)cc1.
What is the InChIKey of 2-(bromomethyl)-N,3-dimethyl-N-[(4-methylphenyl)methyl]butan-1-amine?
The InChIKey is VRPHJWRBWDLEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-12(2)15(9-16)11-17(4)10-14-7-5-13(3)6-8-14/h5-8,12,15H,9-11H2,1-4H3.
What are the key properties of 2-(bromomethyl)-N,3-dimethyl-N-[(4-methylphenyl)methyl]butan-1-amine?
2-(bromomethyl)-N,3-dimethyl-N-[(4-methylphenyl)methyl]butan-1-amine has a molecular weight of 298.27 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N,3-dimethyl-N-[(4-methylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 65011782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).