N'-[(3-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine

C11H16BrClN2 — CID 103102202

IUPACN'-[(3-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1cccc(Br)c1Cl
InChIInChI=1S/C11H16BrClN2/c1-2-15(7-6-14)8-9-4-3-5-10(12)11(9)13/h3-5H,2,6-8,14H2,1H3
InChIKeyPVCBNIGQDDAZAH-UHFFFAOYSA-N
MW291.62 g/mol
LogP2.88
Rot. Bonds5

About N'-[(3-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine

N'-[(3-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine (PubChem CID 103102202) has the molecular formula C11H16BrClN2 and a molecular weight of 291.62 g/mol. Its IUPAC name is N'-[(3-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine
PubChem CID103102202
Molecular FormulaC11H16BrClN2
Molecular Weight291.62 g/mol
Exact Mass290.02
IUPAC NameN'-[(3-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1cccc(Br)c1Cl
InChIInChI=1S/C11H16BrClN2/c1-2-15(7-6-14)8-9-4-3-5-10(12)11(9)13/h3-5H,2,6-8,14H2,1H3
InChIKeyPVCBNIGQDDAZAH-UHFFFAOYSA-N
XLogP2.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-[(3-bromo-2-chlorophenyl)methyl]-N'-ethylethane-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

(2-Aminoethyl)((3-bromophenyl)methyl)ethylamine
CID 66568274
N'-[(5-bromo-2-fluorophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103874872
N'-[(3-bromo-2-fluorophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 107951116
[(5-Bromo-2-chlorophenyl)methyl](methyl)amine
CID 43378980
(3-Bromo-2-chlorophenyl)methanamine
CID 69151002
N'-[(3-bromo-4-fluorophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102756
N'-[(5-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102225
N'-[1-(5-bromo-2-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine
CID 170695977
N'-[1-(3-bromophenyl)propyl]-N'-ethylethane-1,2-diamine
CID 170695990
N'-[1-(3-bromophenyl)ethyl]-N'-ethylethane-1,2-diamine
CID 170696016
(2-Aminoethyl)[(2-chlorophenyl)methyl]ethylamine dihydrochloride
CID 145912900
N'-[(3-bromophenyl)methyl]-N'-propylethane-1,2-diamine
CID 39369905

Frequently Asked Questions

What is the IUPAC name of N'-[(3-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-[(3-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine (CID 103102202) is N'-[(3-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-[(3-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine is CCN(CCN)Cc1cccc(Br)c1Cl.
What is the InChIKey of N'-[(3-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine?
The InChIKey is PVCBNIGQDDAZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2/c1-2-15(7-6-14)8-9-4-3-5-10(12)11(9)13/h3-5H,2,6-8,14H2,1H3.
What are the key properties of N'-[(3-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine?
N'-[(3-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine has a molecular weight of 291.62 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 103102202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).