2-(bromomethyl)-N-[(4-bromophenyl)methyl]-N-methylbutan-1-amine

C13H19Br2N — CID 65000683

IUPAC2-(bromomethyl)-N-[(4-bromophenyl)methyl]-N-methylbutan-1-amine
SMILESCCC(CBr)CN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C13H19Br2N/c1-3-11(8-14)9-16(2)10-12-4-6-13(15)7-5-12/h4-7,11H,3,8-10H2,1-2H3
InChIKeyGHQIENZCMISZGE-UHFFFAOYSA-N
MW349.11 g/mol
LogP4.30
Rot. Bonds6

About 2-(bromomethyl)-N-[(4-bromophenyl)methyl]-N-methylbutan-1-amine

2-(bromomethyl)-N-[(4-bromophenyl)methyl]-N-methylbutan-1-amine (PubChem CID 65000683) has the molecular formula C13H19Br2N and a molecular weight of 349.11 g/mol. Its IUPAC name is 2-(bromomethyl)-N-[(4-bromophenyl)methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N-[(4-bromophenyl)methyl]-N-methylbutan-1-amine
PubChem CID65000683
Molecular FormulaC13H19Br2N
Molecular Weight349.11 g/mol
Exact Mass346.99
IUPAC Name2-(bromomethyl)-N-[(4-bromophenyl)methyl]-N-methylbutan-1-amine
SMILESCCC(CBr)CN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C13H19Br2N/c1-3-11(8-14)9-16(2)10-12-4-6-13(15)7-5-12/h4-7,11H,3,8-10H2,1-2H3
InChIKeyGHQIENZCMISZGE-UHFFFAOYSA-N
XLogP4.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.11
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-N-[(4-bromophenyl)methyl]-N-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-[(4-bromophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119805
N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60777785
1-N-[(4-bromophenyl)methyl]-1-N-methylhexane-1,2-diamine
CID 61415507
2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]butan-1-ol
CID 115250873
2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]butan-1-ol
CID 115250928
1-[(4-bromophenyl)methyl-methylamino]-3-phenylpropan-2-ol
CID 112810893
(2S)-1-N-[(4-bromophenyl)methyl]-3-cyclopropyl-1-N-methylpropane-1,2-diamine
CID 112736504
N-benzyl-2-(bromomethyl)-N-propylbutan-1-amine
CID 130848534
N'-[(4-bromophenyl)methyl]-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 62556567
N'-[(4-bromophenyl)methyl]-N-ethyl-N'-methylbutane-1,4-diamine
CID 62412779
[(4-bromophenyl)methyl-methylamino]methyl-trifluoroboranuide
CID 63705178
2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]butan-1-ol
CID 115250941

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N-[(4-bromophenyl)methyl]-N-methylbutan-1-amine?
The IUPAC name of 2-(bromomethyl)-N-[(4-bromophenyl)methyl]-N-methylbutan-1-amine (CID 65000683) is 2-(bromomethyl)-N-[(4-bromophenyl)methyl]-N-methylbutan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N-[(4-bromophenyl)methyl]-N-methylbutan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N-[(4-bromophenyl)methyl]-N-methylbutan-1-amine is CCC(CBr)CN(C)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(bromomethyl)-N-[(4-bromophenyl)methyl]-N-methylbutan-1-amine?
The InChIKey is GHQIENZCMISZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2N/c1-3-11(8-14)9-16(2)10-12-4-6-13(15)7-5-12/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of 2-(bromomethyl)-N-[(4-bromophenyl)methyl]-N-methylbutan-1-amine?
2-(bromomethyl)-N-[(4-bromophenyl)methyl]-N-methylbutan-1-amine has a molecular weight of 349.11 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N-[(4-bromophenyl)methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 65000683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).