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

C11H16Cl2N2 — CID 4720305

IUPACN-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2/c1-15(2)6-5-14-8-9-3-4-10(12)7-11(9)13/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyPEZHCWCUHHVYED-UHFFFAOYSA-N
MW247.17 g/mol
LogP2.64
Rot. Bonds5

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

N-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 4720305) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID4720305
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2/c1-15(2)6-5-14-8-9-3-4-10(12)7-11(9)13/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyPEZHCWCUHHVYED-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 52.64
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-bromo-4-chlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 81495683
N-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 42818937
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[(2,4-dichlorophenyl)methyl]pentan-1-amine
CID 4716694
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 4720885
3-(2,4-dichlorophenyl)-N,N-dimethylpropan-1-amine
CID 69275794
N-[(2,4-dichlorophenyl)methyl]decan-1-amine
CID 20562210
N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine
CID 20562206
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 17294819
N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115733095
1-N-[(2,4-dichlorophenyl)methyl]-3-methylbutane-1,3-diamine
CID 115200655
N-[(2,4-dichlorophenyl)methyl]pent-3-yn-1-amine
CID 115978431

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine (CID 4720305) is N-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is PEZHCWCUHHVYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2/c1-15(2)6-5-14-8-9-3-4-10(12)7-11(9)13/h3-4,7,14H,5-6,8H2,1-2H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
N-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 247.17 g/mol, XLogP of 2.64, 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',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 4720305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).