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

C12H18Cl2N2 — CID 115198677

IUPACN'-[(2,4-dichlorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine
SMILESCC(CN)CN(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2/c1-9(6-15)7-16(2)8-10-3-4-11(13)5-12(10)14/h3-5,9H,6-8,15H2,1-2H3
InChIKeyZJQNTOOXJWYSLL-UHFFFAOYSA-N
MW261.20 g/mol
LogP3.02
Rot. Bonds5

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

N'-[(2,4-dichlorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine (PubChem CID 115198677) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is N'-[(2,4-dichlorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2,4-dichlorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine
PubChem CID115198677
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC NameN'-[(2,4-dichlorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine
SMILESCC(CN)CN(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2/c1-9(6-15)7-16(2)8-10-3-4-11(13)5-12(10)14/h3-5,9H,6-8,15H2,1-2H3
InChIKeyZJQNTOOXJWYSLL-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 115263252
N'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 115201351
3-N-[(5-chloro-2-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119872
3-N-[(2,4-dichlorophenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 117040409
1-[(2,4-dichlorophenyl)methyl]-1-methylhydrazine
CID 82282939
N'-[(2,4-dichlorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55002707
(1R)-2-[(2,4-dichlorophenyl)methyl-methylamino]-1-phenylethanol
CID 30980110
1-(2,4-dichlorophenyl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258760
N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine
CID 5150681
3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine
CID 115215774
N-[(4-chlorophenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 80544192
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 4542426

Frequently Asked Questions

What is the IUPAC name of N'-[(2,4-dichlorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[(2,4-dichlorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine (CID 115198677) is N'-[(2,4-dichlorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2,4-dichlorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(2,4-dichlorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine is CC(CN)CN(C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[(2,4-dichlorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine?
The InChIKey is ZJQNTOOXJWYSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2/c1-9(6-15)7-16(2)8-10-3-4-11(13)5-12(10)14/h3-5,9H,6-8,15H2,1-2H3.
What are the key properties of N'-[(2,4-dichlorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine?
N'-[(2,4-dichlorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine has a molecular weight of 261.20 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,4-dichlorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115198677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).