N'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine

C15H25BrN2 — CID 62436074

IUPACN'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CNCCCN(C)Cc1ccccc1Br
InChIInChI=1S/C15H25BrN2/c1-13(2)11-17-9-6-10-18(3)12-14-7-4-5-8-15(14)16/h4-5,7-8,13,17H,6,9-12H2,1-3H3
InChIKeyWOXDYYZIEJXTPR-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.52
Rot. Bonds8

About N'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine

N'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine (PubChem CID 62436074) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is N'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
PubChem CID62436074
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC NameN'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CNCCCN(C)Cc1ccccc1Br
InChIInChI=1S/C15H25BrN2/c1-13(2)11-17-9-6-10-18(3)12-14-7-4-5-8-15(14)16/h4-5,7-8,13,17H,6,9-12H2,1-3H3
InChIKeyWOXDYYZIEJXTPR-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine 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

N'-[(3-bromo-2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 107951092
N'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 61420148
N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylpropyl)butane-1,4-diamine
CID 62461881
N'-[(2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62435902
N'-[(2-bromophenyl)methyl]-N-butyl-N'-methylethane-1,2-diamine
CID 62556809
N,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 63725478
2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 63503088
N'-methyl-N-(2-methylpropyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62433942
2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 115463583
N'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
CID 62420801
N'-[(2-bromophenyl)methyl]-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine
CID 62558202
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921

Frequently Asked Questions

What is the IUPAC name of N'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine (CID 62436074) is N'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine is CC(C)CNCCCN(C)Cc1ccccc1Br.
What is the InChIKey of N'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is WOXDYYZIEJXTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-13(2)11-17-9-6-10-18(3)12-14-7-4-5-8-15(14)16/h4-5,7-8,13,17H,6,9-12H2,1-3H3.
What are the key properties of N'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine?
N'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 313.28 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 62436074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).