1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine

C16H18BrClN2 — CID 61417147

IUPAC1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1Cl)C(CN)c1ccccc1Br
InChIInChI=1S/C16H18BrClN2/c1-20(11-12-6-2-5-9-15(12)18)16(10-19)13-7-3-4-8-14(13)17/h2-9,16H,10-11,19H2,1H3
InChIKeyWCIFYRBRFOIQMA-UHFFFAOYSA-N
MW353.69 g/mol
LogP4.23
Rot. Bonds5

About 1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine

1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine (PubChem CID 61417147) has the molecular formula C16H18BrClN2 and a molecular weight of 353.69 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine
PubChem CID61417147
Molecular FormulaC16H18BrClN2
Molecular Weight353.69 g/mol
Exact Mass352.03
IUPAC Name1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1Cl)C(CN)c1ccccc1Br
InChIInChI=1S/C16H18BrClN2/c1-20(11-12-6-2-5-9-15(12)18)16(10-19)13-7-3-4-8-14(13)17/h2-9,16H,10-11,19H2,1H3
InChIKeyWCIFYRBRFOIQMA-UHFFFAOYSA-N
XLogP4.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.69
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-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

N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine
CID 24694407
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)-N-methylethane-1,2-diamine
CID 63471932
1-(5-bromofuran-2-yl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61417281
N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 61416802
N'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693386
N-[(2-bromophenyl)methyl]-1-(3-chlorophenyl)-N-methylethane-1,2-diamine
CID 61416664
N-[(2-bromophenyl)methyl]-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 61416089
1-(2-bromophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563265
1-(2-bromophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 55161280
N-[(2-bromophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
CID 60646435
1-(2-bromophenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 55259223
N-[(2-chlorophenyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61417418

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine?
The IUPAC name of 1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine (CID 61417147) is 1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine is CN(Cc1ccccc1Cl)C(CN)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine?
The InChIKey is WCIFYRBRFOIQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2/c1-20(11-12-6-2-5-9-15(12)18)16(10-19)13-7-3-4-8-14(13)17/h2-9,16H,10-11,19H2,1H3.
What are the key properties of 1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine?
1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine has a molecular weight of 353.69 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 61417147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).