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

C12H17Cl2N — CID 43486511

IUPAC1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2N/c1-8(2)6-12(15-3)9-4-5-10(13)11(14)7-9/h4-5,7-8,12,15H,6H2,1-3H3
InChIKeyQFVHSEKVXXFKNU-UHFFFAOYSA-N
MW246.18 g/mol
LogP4.30
Rot. Bonds4

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

1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine (PubChem CID 43486511) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine
PubChem CID43486511
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC Name1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2N/c1-8(2)6-12(15-3)9-4-5-10(13)11(14)7-9/h4-5,7-8,12,15H,6H2,1-3H3
InChIKeyQFVHSEKVXXFKNU-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N,3-dimethylbutan-1-amine
CID 63094690
1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine
CID 81492431
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 116947987
3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 64814917
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486451
1-(3,4-dichlorophenyl)-N,N'-dimethylbutane-1,4-diamine
CID 116949498
1-(3,4-dichlorophenyl)-3-methylbutan-1-amine
CID 43344490
1-(3,4-dichlorophenyl)-N-methylhex-4-yn-1-amine
CID 104807089
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 81491759
2-(4-chlorophenyl)sulfanyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 66145138

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine (CID 43486511) is 1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine is CNC(CC(C)C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine?
The InChIKey is QFVHSEKVXXFKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N/c1-8(2)6-12(15-3)9-4-5-10(13)11(14)7-9/h4-5,7-8,12,15H,6H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine?
1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine has a molecular weight of 246.18 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 43486511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).