2-(3,4-dichlorophenyl)-N-methylbutan-1-amine

C11H15Cl2N — CID 23202154

IUPAC2-(3,4-dichlorophenyl)-N-methylbutan-1-amine
SMILESCCC(CNC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2N/c1-3-8(7-14-2)9-4-5-10(12)11(13)6-9/h4-6,8,14H,3,7H2,1-2H3
InChIKeyFLGAUSNUBIHJAF-UHFFFAOYSA-N
MW232.15 g/mol
LogP3.71
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-N-methylbutan-1-amine

2-(3,4-dichlorophenyl)-N-methylbutan-1-amine (PubChem CID 23202154) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-methylbutan-1-amine
PubChem CID23202154
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC Name2-(3,4-dichlorophenyl)-N-methylbutan-1-amine
SMILESCCC(CNC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2N/c1-3-8(7-14-2)9-4-5-10(12)11(13)6-9/h4-6,8,14H,3,7H2,1-2H3
InChIKeyFLGAUSNUBIHJAF-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dichlorophenyl)-4-(methylamino)butan-1-ol
CID 10824416
(3S)-3-(3,4-dichlorophenyl)-4-(methylamino)butan-1-ol
CID 20794252
1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 116947987
1,2-dichloro-4-heptan-3-ylbenzene
CID 175611327
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
N-methyl-2-(4-methylphenyl)butan-1-amine
CID 64984808
2-(4-bromophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 79441806
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
2-[2-(3,4-dichlorophenyl)butyl]-3-ethyloxirane
CID 83931298
2-(3,4-dichlorophenyl)-N-methyl-3-piperidin-3-ylpropan-1-amine
CID 134419979
N-[2-(3,4-dichlorophenyl)-4-(methylamino)butyl]formamide
CID 22636685

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-methylbutan-1-amine?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-methylbutan-1-amine (CID 23202154) is 2-(3,4-dichlorophenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-methylbutan-1-amine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-methylbutan-1-amine is CCC(CNC)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-methylbutan-1-amine?
The InChIKey is FLGAUSNUBIHJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N/c1-3-8(7-14-2)9-4-5-10(12)11(13)6-9/h4-6,8,14H,3,7H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-methylbutan-1-amine?
2-(3,4-dichlorophenyl)-N-methylbutan-1-amine has a molecular weight of 232.15 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 23202154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).