N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine

C11H17ClN2 — CID 43374414

IUPACN'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1ccccc1Cl
InChIInChI=1S/C11H17ClN2/c1-13-7-8-14(2)9-10-5-3-4-6-11(10)12/h3-6,13H,7-9H2,1-2H3
InChIKeyIRQOWUBQYQOZIV-UHFFFAOYSA-N
MW212.72 g/mol
LogP1.99
Rot. Bonds5

About N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine

N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 43374414) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID43374414
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC NameN'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1ccccc1Cl
InChIInChI=1S/C11H17ClN2/c1-13-7-8-14(2)9-10-5-3-4-6-11(10)12/h3-6,13H,7-9H2,1-2H3
InChIKeyIRQOWUBQYQOZIV-UHFFFAOYSA-N
XLogP1.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
N'-[(2,6-dichlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374397
N'-[(2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374430
N'-[[2-(2,3-dichlorophenoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
CID 170453249
N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61417092
N'-[(2-chlorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine
CID 61417488
N'-[(2-chlorophenyl)methyl]-N-ethyl-N'-methylpentane-1,5-diamine
CID 62412963
5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine
CID 61416820
N-[(2-chlorophenyl)methyl]-N,N',2,2-tetramethylpropane-1,3-diamine
CID 55056456
N'-[(2-chlorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556387
N-[(2-chlorophenyl)methyl]-N-methylpent-4-yn-1-amine
CID 115872604
N'-[(2-chlorophenyl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62558301

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine (CID 43374414) is N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)Cc1ccccc1Cl.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is IRQOWUBQYQOZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-13-7-8-14(2)9-10-5-3-4-6-11(10)12/h3-6,13H,7-9H2,1-2H3.
What are the key properties of N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 212.72 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 43374414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).