N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine

C16H19BrN2 — CID 24694407

IUPACN-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1)C(CN)c1ccccc1Br
InChIInChI=1S/C16H19BrN2/c1-19(12-13-7-3-2-4-8-13)16(11-18)14-9-5-6-10-15(14)17/h2-10,16H,11-12,18H2,1H3
InChIKeyOFOOMHSAARBVLW-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.58
Rot. Bonds5

About N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine

N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine (PubChem CID 24694407) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine
PubChem CID24694407
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC NameN-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1)C(CN)c1ccccc1Br
InChIInChI=1S/C16H19BrN2/c1-19(12-13-7-3-2-4-8-13)16(11-18)14-9-5-6-10-15(14)17/h2-10,16H,11-12,18H2,1H3
InChIKeyOFOOMHSAARBVLW-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-1-(2-bromophenyl)-N-methylethane-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

1-(2-bromophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563265
1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61417147
N'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693386
N-benzyl-1-(4-bromo-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 43364608
N-benzyl-1-(4,5-dibromothiophen-2-yl)-N-methylethane-1,2-diamine
CID 102838179
1-(2-bromophenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 55259223
N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 43822937
N-[(3-bromophenyl)methyl]-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
CID 61415283
1-(2-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 55161280
N-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine
CID 106528482
1-(2-bromo-5-chlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 66157436
1-(2-bromophenyl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905528

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine (CID 24694407) is N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine is CN(Cc1ccccc1)C(CN)c1ccccc1Br.
What is the InChIKey of N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine?
The InChIKey is OFOOMHSAARBVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-19(12-13-7-3-2-4-8-13)16(11-18)14-9-5-6-10-15(14)17/h2-10,16H,11-12,18H2,1H3.
What are the key properties of N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine?
N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine has a molecular weight of 319.25 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 24694407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).