3-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine

C12H17Cl2N — CID 79830214

IUPAC3-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine
SMILESCNCCC(C)(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2N/c1-12(2,6-7-15-3)9-4-5-10(13)11(14)8-9/h4-5,8,15H,6-7H2,1-3H3
InChIKeyVDTWKFAALFENGZ-UHFFFAOYSA-N
MW246.18 g/mol
LogP3.88
Rot. Bonds4

About 3-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine

3-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine (PubChem CID 79830214) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine
PubChem CID79830214
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC Name3-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine
SMILESCNCCC(C)(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2N/c1-12(2,6-7-15-3)9-4-5-10(13)11(14)8-9/h4-5,8,15H,6-7H2,1-3H3
InChIKeyVDTWKFAALFENGZ-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-bromo-2-methylbutan-2-yl)-1,2-dichlorobenzene
CID 79838104
2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]ethanol
CID 115216577
3-(3,4-diethylphenyl)-N,3-dimethylbutan-1-amine
CID 113319299
2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol
CID 67636356
2-(3,4-dichlorophenyl)-2-methylpropan-1-amine
CID 13290303
4-(1-bromo-2-methylpropan-2-yl)-1,2-dichlorobenzene
CID 82045228
2-(3-chloro-4-methylphenyl)-N,2-dimethylpropan-1-amine
CID 83703366
N,3-dimethyl-3-phenylbutan-1-amine
CID 62966813
3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine
CID 79830478
3-(2-chloro-4,5-dimethylphenyl)-N,3-dimethylbutan-1-amine
CID 115485108
3-(2,3-dichlorophenyl)-N,3-dimethylbutan-1-amine
CID 81022420
6-(3,4-dichlorophenyl)-3,6-dimethyl-7-(methylamino)heptan-3-ol
CID 123305021

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 3-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine (CID 79830214) is 3-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine is CNCCC(C)(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine?
The InChIKey is VDTWKFAALFENGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N/c1-12(2,6-7-15-3)9-4-5-10(13)11(14)8-9/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of 3-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine?
3-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine has a molecular weight of 246.18 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 79830214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).