N-[2-[(4-bromophenyl)methyl-methylamino]ethyl]-N',N'-dimethylethane-1,2-diamine

C14H24BrN3 — CID 62556390

IUPACN-[2-[(4-bromophenyl)methyl-methylamino]ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCCN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H24BrN3/c1-17(2)10-8-16-9-11-18(3)12-13-4-6-14(15)7-5-13/h4-7,16H,8-12H2,1-3H3
InChIKeySGENHKZQLHOWMT-UHFFFAOYSA-N
MW314.27 g/mol
LogP2.03
Rot. Bonds8

About N-[2-[(4-bromophenyl)methyl-methylamino]ethyl]-N',N'-dimethylethane-1,2-diamine

N-[2-[(4-bromophenyl)methyl-methylamino]ethyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 62556390) has the molecular formula C14H24BrN3 and a molecular weight of 314.27 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)methyl-methylamino]ethyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)methyl-methylamino]ethyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID62556390
Molecular FormulaC14H24BrN3
Molecular Weight314.27 g/mol
Exact Mass313.12
IUPAC NameN-[2-[(4-bromophenyl)methyl-methylamino]ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCCN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H24BrN3/c1-17(2)10-8-16-9-11-18(3)12-13-4-6-14(15)7-5-13/h4-7,16H,8-12H2,1-3H3
InChIKeySGENHKZQLHOWMT-UHFFFAOYSA-N
XLogP2.03
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(4-bromophenyl)methyl-methylamino]ethyl]-N',N'-dimethylethane-1,2-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'-[(4-bromophenyl)methyl]-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 62556567
N'-[(4-bromophenyl)methyl]-N'-methyl-N-propylpentane-1,5-diamine
CID 62411901
N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60777785
N-[2-[(4-bromophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 82825733
N'-[(4-bromophenyl)methyl]-N-ethyl-N'-methylbutane-1,4-diamine
CID 62412779
N'-benzyl-N-[2-(dimethylamino)ethyl]-N'-methylpropane-1,3-diamine
CID 28577551
N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 55069287
N'-[(4-bromophenyl)methyl]-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63503276
N'-[[4-(dimethylamino)phenyl]methyl]-N'-methyl-N-propylethane-1,2-diamine
CID 113409088
N'-[(4-bromophenyl)methyl]-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 63502076
4-[(4-bromophenyl)methyl-methylamino]-N'-hydroxybutanimidamide
CID 61415732
N'-[(4-bromophenyl)methyl]-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 63502762

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)methyl-methylamino]ethyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[2-[(4-bromophenyl)methyl-methylamino]ethyl]-N',N'-dimethylethane-1,2-diamine (CID 62556390) is N-[2-[(4-bromophenyl)methyl-methylamino]ethyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[2-[(4-bromophenyl)methyl-methylamino]ethyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[2-[(4-bromophenyl)methyl-methylamino]ethyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCCN(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[2-[(4-bromophenyl)methyl-methylamino]ethyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is SGENHKZQLHOWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3/c1-17(2)10-8-16-9-11-18(3)12-13-4-6-14(15)7-5-13/h4-7,16H,8-12H2,1-3H3.
What are the key properties of N-[2-[(4-bromophenyl)methyl-methylamino]ethyl]-N',N'-dimethylethane-1,2-diamine?
N-[2-[(4-bromophenyl)methyl-methylamino]ethyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 314.27 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)methyl-methylamino]ethyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 62556390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).