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

C16H23Cl2N — CID 107312312

IUPAC4-cyclopentyl-1-(2,3-dichlorophenyl)-N-methylbutan-2-amine
SMILESCNC(CCC1CCCC1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H23Cl2N/c1-19-14(10-9-12-5-2-3-6-12)11-13-7-4-8-15(17)16(13)18/h4,7-8,12,14,19H,2-3,5-6,9-11H2,1H3
InChIKeyBSFLDLZUURLWIJ-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.09
Rot. Bonds6

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

4-cyclopentyl-1-(2,3-dichlorophenyl)-N-methylbutan-2-amine (PubChem CID 107312312) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is 4-cyclopentyl-1-(2,3-dichlorophenyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-1-(2,3-dichlorophenyl)-N-methylbutan-2-amine
PubChem CID107312312
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC Name4-cyclopentyl-1-(2,3-dichlorophenyl)-N-methylbutan-2-amine
SMILESCNC(CCC1CCCC1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H23Cl2N/c1-19-14(10-9-12-5-2-3-6-12)11-13-7-4-8-15(17)16(13)18/h4,7-8,12,14,19H,2-3,5-6,9-11H2,1H3
InChIKeyBSFLDLZUURLWIJ-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine
CID 63528999
1-(2-chlorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
CID 65459954
[1-(3-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-yl]hydrazine
CID 102868743
1-cyclobutyl-3-(2,3-dichlorophenyl)-N-ethylpropan-2-amine
CID 107311774
1-(cyclohexen-1-yl)-3-(2,3-dichlorophenyl)-N-methylpropan-2-amine
CID 107309054
4-cyclohexyl-N-methyl-1-(2-nitrophenyl)butan-2-amine
CID 61080065
1-(3-chloro-2-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 82805857
4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 63528992
1-(2,3-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 107309192
[1-(2,3-dichlorophenyl)-4,4-dimethylpentan-2-yl]hydrazine
CID 107312642
4-cyclopentyl-1-(3,4-dimethylphenyl)-N-methylbutan-2-amine
CID 63526762
3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 82534938

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-(2,3-dichlorophenyl)-N-methylbutan-2-amine?
The IUPAC name of 4-cyclopentyl-1-(2,3-dichlorophenyl)-N-methylbutan-2-amine (CID 107312312) is 4-cyclopentyl-1-(2,3-dichlorophenyl)-N-methylbutan-2-amine.
What is the SMILES notation for 4-cyclopentyl-1-(2,3-dichlorophenyl)-N-methylbutan-2-amine?
The canonical SMILES for 4-cyclopentyl-1-(2,3-dichlorophenyl)-N-methylbutan-2-amine is CNC(CCC1CCCC1)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 4-cyclopentyl-1-(2,3-dichlorophenyl)-N-methylbutan-2-amine?
The InChIKey is BSFLDLZUURLWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-19-14(10-9-12-5-2-3-6-12)11-13-7-4-8-15(17)16(13)18/h4,7-8,12,14,19H,2-3,5-6,9-11H2,1H3.
What are the key properties of 4-cyclopentyl-1-(2,3-dichlorophenyl)-N-methylbutan-2-amine?
4-cyclopentyl-1-(2,3-dichlorophenyl)-N-methylbutan-2-amine has a molecular weight of 300.27 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-(2,3-dichlorophenyl)-N-methylbutan-2-amine is sourced from PubChem (CID 107312312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).