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

C12H18Cl2N2 — CID 115132617

IUPAC2-N-(3,4-dichlorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNCC(C)(C)N(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H18Cl2N2/c1-12(2,8-15-3)16(4)9-5-6-10(13)11(14)7-9/h5-7,15H,8H2,1-4H3
InChIKeyKHHFTUTWBXADBY-UHFFFAOYSA-N
MW261.20 g/mol
LogP3.43
Rot. Bonds4

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

2-N-(3,4-dichlorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 115132617) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 2-N-(3,4-dichlorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3,4-dichlorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID115132617
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name2-N-(3,4-dichlorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNCC(C)(C)N(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H18Cl2N2/c1-12(2,8-15-3)16(4)9-5-6-10(13)11(14)7-9/h5-7,15H,8H2,1-4H3
InChIKeyKHHFTUTWBXADBY-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(3-chloro-4-fluorophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134602
3,4-dichloro-N-ethyl-N-methylaniline
CID 59726249
3,4-dichloro-N-methyl-N-phenylaniline
CID 73012191
3-N-(4-chlorophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134535
2-N-(5-bromo-2-fluorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115132613
3-(3,4-dichloro-N-methylanilino)-2-methylpropanenitrile
CID 82117804
3-(3,4-dichloro-N-methylanilino)propan-1-ol
CID 82116339
3-N-(3,4-difluorophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134569
N'-(3,4-dichlorophenyl)-N'-methylpropane-1,3-diamine
CID 28772810
N-(3,4-dichlorophenyl)-N',N'-diethyl-N-methylethane-1,2-diamine
CID 23317090
3-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine
CID 79830214
1-N,2-N,2-trimethyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 115132783

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dichlorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(3,4-dichlorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine (CID 115132617) is 2-N-(3,4-dichlorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(3,4-dichlorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(3,4-dichlorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine is CNCC(C)(C)N(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-N-(3,4-dichlorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is KHHFTUTWBXADBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2/c1-12(2,8-15-3)16(4)9-5-6-10(13)11(14)7-9/h5-7,15H,8H2,1-4H3.
What are the key properties of 2-N-(3,4-dichlorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
2-N-(3,4-dichlorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 261.20 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dichlorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 115132617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).