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

C12H18Cl2N2 — CID 116949072

IUPAC1-(3,4-dichlorophenyl)-N,2,2-trimethylpropane-1,3-diamine
SMILESCNC(c1ccc(Cl)c(Cl)c1)C(C)(C)CN
InChIInChI=1S/C12H18Cl2N2/c1-12(2,7-15)11(16-3)8-4-5-9(13)10(14)6-8/h4-6,11,16H,7,15H2,1-3H3
InChIKeyNLIKACOZQSVSIZ-UHFFFAOYSA-N
MW261.20 g/mol
LogP3.24
Rot. Bonds4

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

1-(3,4-dichlorophenyl)-N,2,2-trimethylpropane-1,3-diamine (PubChem CID 116949072) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N,2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N,2,2-trimethylpropane-1,3-diamine
PubChem CID116949072
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name1-(3,4-dichlorophenyl)-N,2,2-trimethylpropane-1,3-diamine
SMILESCNC(c1ccc(Cl)c(Cl)c1)C(C)(C)CN
InChIInChI=1S/C12H18Cl2N2/c1-12(2,7-15)11(16-3)8-4-5-9(13)10(14)6-8/h4-6,11,16H,7,15H2,1-3H3
InChIKeyNLIKACOZQSVSIZ-UHFFFAOYSA-N
XLogP3.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948774
1-(3,4-dichlorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79061036
1-(4-chlorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 116949961
1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116948987
1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79069274
1-(3,4-dichlorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
CID 79051461
1-(3-chloro-4-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 115854463
3-amino-1-(3,4-dichlorophenyl)-1-(methylamino)propan-2-ol
CID 116957715
(3,4-dichlorophenyl)-(methylamino)methanethiol
CID 116954570
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
6-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-3H-1,3-benzoxazol-2-one
CID 116949062
1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 116947987

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N,2,2-trimethylpropane-1,3-diamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N,2,2-trimethylpropane-1,3-diamine (CID 116949072) is 1-(3,4-dichlorophenyl)-N,2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N,2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N,2,2-trimethylpropane-1,3-diamine is CNC(c1ccc(Cl)c(Cl)c1)C(C)(C)CN.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N,2,2-trimethylpropane-1,3-diamine?
The InChIKey is NLIKACOZQSVSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2/c1-12(2,7-15)11(16-3)8-4-5-9(13)10(14)6-8/h4-6,11,16H,7,15H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N,2,2-trimethylpropane-1,3-diamine?
1-(3,4-dichlorophenyl)-N,2,2-trimethylpropane-1,3-diamine has a molecular weight of 261.20 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N,2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 116949072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).