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

C12H18Cl2N2 — CID 115201351

IUPACN'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine
SMILESCN(CCCCN)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2/c1-16(7-3-2-6-15)9-10-4-5-11(13)8-12(10)14/h4-5,8H,2-3,6-7,9,15H2,1H3
InChIKeyMLYSGJACUBENBV-UHFFFAOYSA-N
MW261.20 g/mol
LogP3.16
Rot. Bonds6

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

N'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine (PubChem CID 115201351) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is N'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine
PubChem CID115201351
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC NameN'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine
SMILESCN(CCCCN)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2/c1-16(7-3-2-6-15)9-10-4-5-11(13)8-12(10)14/h4-5,8H,2-3,6-7,9,15H2,1H3
InChIKeyMLYSGJACUBENBV-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 115263252
N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61417092
N'-[(2,4-dichlorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 115198677
1-[(2,4-dichlorophenyl)methyl]-1-methylhydrazine
CID 82282939
1-(2,4-dichlorophenyl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258760
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 4542426
N-cyclopropyl-N'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 55002903
5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylpentan-1-amine
CID 107205019
2-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol
CID 62682725
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165

Frequently Asked Questions

What is the IUPAC name of N'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine?
The IUPAC name of N'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine (CID 115201351) is N'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine?
The canonical SMILES for N'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine is CN(CCCCN)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine?
The InChIKey is MLYSGJACUBENBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2/c1-16(7-3-2-6-15)9-10-4-5-11(13)8-12(10)14/h4-5,8H,2-3,6-7,9,15H2,1H3.
What are the key properties of N'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine?
N'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine has a molecular weight of 261.20 g/mol, XLogP of 3.16, 6 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'-methylbutane-1,4-diamine is sourced from PubChem (CID 115201351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).