N'-[(3,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine

C10H14Cl2N2 — CID 43373737

IUPACN'-[(3,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2/c1-14(5-4-13)7-8-2-3-9(11)10(12)6-8/h2-3,6H,4-5,7,13H2,1H3
InChIKeyJVFDHGBEJGGCOD-UHFFFAOYSA-N
MW233.14 g/mol
LogP2.38
Rot. Bonds4

About N'-[(3,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine

N'-[(3,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 43373737) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is N'-[(3,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
PubChem CID43373737
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC NameN'-[(3,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2/c1-14(5-4-13)7-8-2-3-9(11)10(12)6-8/h2-3,6H,4-5,7,13H2,1H3
InChIKeyJVFDHGBEJGGCOD-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62680595
3-[(3,4-dichlorophenyl)methyl-methylamino]propanethioamide
CID 29009744
N'-[(3-chloro-4-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98784191
2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol
CID 142099000
4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline
CID 43458300
4-[[2-aminoethyl(methyl)amino]methyl]benzene-1,2-diol
CID 62682581
N'-[(3,4-dichlorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591895
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768
methyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate
CID 60670410
2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-3-fluoroaniline
CID 171706536
N-[(3,4-dichlorophenyl)methyl]-N-methylmethanesulfonamide
CID 60681368
N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide
CID 115192019

Frequently Asked Questions

What is the IUPAC name of N'-[(3,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(3,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine (CID 43373737) is N'-[(3,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(3,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(3,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine is CN(CCN)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N'-[(3,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is JVFDHGBEJGGCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2/c1-14(5-4-13)7-8-2-3-9(11)10(12)6-8/h2-3,6H,4-5,7,13H2,1H3.
What are the key properties of N'-[(3,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine?
N'-[(3,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 233.14 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 43373737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).