1-N-(2,4-dichlorophenyl)-1-N,3-dimethylbutane-1,3-diamine

C12H18Cl2N2 — CID 115200543

IUPAC1-N-(2,4-dichlorophenyl)-1-N,3-dimethylbutane-1,3-diamine
SMILESCN(CCC(C)(C)N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2/c1-12(2,15)6-7-16(3)11-5-4-9(13)8-10(11)14/h4-5,8H,6-7,15H2,1-3H3
InChIKeyRHEDCKGIGTWBGV-UHFFFAOYSA-N
MW261.20 g/mol
LogP3.56
Rot. Bonds4

About 1-N-(2,4-dichlorophenyl)-1-N,3-dimethylbutane-1,3-diamine

1-N-(2,4-dichlorophenyl)-1-N,3-dimethylbutane-1,3-diamine (PubChem CID 115200543) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 1-N-(2,4-dichlorophenyl)-1-N,3-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2,4-dichlorophenyl)-1-N,3-dimethylbutane-1,3-diamine
PubChem CID115200543
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name1-N-(2,4-dichlorophenyl)-1-N,3-dimethylbutane-1,3-diamine
SMILESCN(CCC(C)(C)N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2/c1-12(2,15)6-7-16(3)11-5-4-9(13)8-10(11)14/h4-5,8H,6-7,15H2,1-3H3
InChIKeyRHEDCKGIGTWBGV-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(5-chloro-2-methylphenyl)-1-N,3-dimethylbutane-1,3-diamine
CID 117028791
1-N-[(4-chlorophenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine
CID 64679520
1-N-(4-bromo-2-methylphenyl)-1-N,3-dimethylbutane-1,3-diamine
CID 117028807
4-(2-amino-5-chloro-N-methylanilino)-2-methylbutan-2-ol
CID 107466176
2-N-(3-amino-3-methylbutyl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine
CID 112753884
2-(2,4-dichloro-N-methylanilino)acetonitrile
CID 82113638
1-N-(2-aminoethyl)-2-chloro-1-N-methylbenzene-1,4-diamine
CID 82506047
1-N-(5-tert-butyl-2-methylphenyl)-1-N,3-dimethylbutane-1,3-diamine
CID 115200470
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dichloro-N-methylaniline
CID 115244039
1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine
CID 10797840
1-N-[(2,4-dichlorophenyl)methyl]-3-methylbutane-1,3-diamine
CID 115200655
4-chloro-1-N-[2-(dimethylamino)ethyl]-1-N-methylbenzene-1,2-diamine
CID 63695139

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-dichlorophenyl)-1-N,3-dimethylbutane-1,3-diamine?
The IUPAC name of 1-N-(2,4-dichlorophenyl)-1-N,3-dimethylbutane-1,3-diamine (CID 115200543) is 1-N-(2,4-dichlorophenyl)-1-N,3-dimethylbutane-1,3-diamine.
What is the SMILES notation for 1-N-(2,4-dichlorophenyl)-1-N,3-dimethylbutane-1,3-diamine?
The canonical SMILES for 1-N-(2,4-dichlorophenyl)-1-N,3-dimethylbutane-1,3-diamine is CN(CCC(C)(C)N)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-N-(2,4-dichlorophenyl)-1-N,3-dimethylbutane-1,3-diamine?
The InChIKey is RHEDCKGIGTWBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2/c1-12(2,15)6-7-16(3)11-5-4-9(13)8-10(11)14/h4-5,8H,6-7,15H2,1-3H3.
What are the key properties of 1-N-(2,4-dichlorophenyl)-1-N,3-dimethylbutane-1,3-diamine?
1-N-(2,4-dichlorophenyl)-1-N,3-dimethylbutane-1,3-diamine has a molecular weight of 261.20 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-dichlorophenyl)-1-N,3-dimethylbutane-1,3-diamine is sourced from PubChem (CID 115200543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).