2,3-dichloro-N-cyclopentyl-N-methylaniline

C12H15Cl2N — CID 66960790

IUPAC2,3-dichloro-N-cyclopentyl-N-methylaniline
SMILESCN(c1cccc(Cl)c1Cl)C1CCCC1
InChIInChI=1S/C12H15Cl2N/c1-15(9-5-2-3-6-9)11-8-4-7-10(13)12(11)14/h4,7-9H,2-3,5-6H2,1H3
InChIKeyZHVJXKYHVLSWRB-UHFFFAOYSA-N
MW244.16 g/mol
LogP4.37
Rot. Bonds2

About 2,3-dichloro-N-cyclopentyl-N-methylaniline

2,3-dichloro-N-cyclopentyl-N-methylaniline (PubChem CID 66960790) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is 2,3-dichloro-N-cyclopentyl-N-methylaniline.

Molecular Properties

Compound Name2,3-dichloro-N-cyclopentyl-N-methylaniline
PubChem CID66960790
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC Name2,3-dichloro-N-cyclopentyl-N-methylaniline
SMILESCN(c1cccc(Cl)c1Cl)C1CCCC1
InChIInChI=1S/C12H15Cl2N/c1-15(9-5-2-3-6-9)11-8-4-7-10(13)12(11)14/h4,7-9H,2-3,5-6H2,1H3
InChIKeyZHVJXKYHVLSWRB-UHFFFAOYSA-N
XLogP4.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine
CID 104833893
2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid
CID 43267297
2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid
CID 43614200
2-[(tert-butylamino)methyl]-3-chloro-N-cyclopentyl-N-methylaniline
CID 63552442
2,6-dichloro-N-cyclopropyl-N-methylaniline
CID 54252168
2-N-cyclopentyl-2-N-methylbenzene-1,2-diamine
CID 43266943
N-cyclopentyl-3-fluoro-N,2-dimethylaniline
CID 66962308
N-(2-chlorophenyl)-N,1-dimethylpiperidin-4-amine
CID 110454576
3-N-cyclopentyl-3-N,2-dimethylbenzene-1,3-diamine
CID 63077474
3-chloro-N-cyclopropyl-N-methyl-2-nitroaniline
CID 104838791
3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 43281657
2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 61437395

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-cyclopentyl-N-methylaniline?
The IUPAC name of 2,3-dichloro-N-cyclopentyl-N-methylaniline (CID 66960790) is 2,3-dichloro-N-cyclopentyl-N-methylaniline.
What is the SMILES notation for 2,3-dichloro-N-cyclopentyl-N-methylaniline?
The canonical SMILES for 2,3-dichloro-N-cyclopentyl-N-methylaniline is CN(c1cccc(Cl)c1Cl)C1CCCC1.
What is the InChIKey of 2,3-dichloro-N-cyclopentyl-N-methylaniline?
The InChIKey is ZHVJXKYHVLSWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N/c1-15(9-5-2-3-6-9)11-8-4-7-10(13)12(11)14/h4,7-9H,2-3,5-6H2,1H3.
What are the key properties of 2,3-dichloro-N-cyclopentyl-N-methylaniline?
2,3-dichloro-N-cyclopentyl-N-methylaniline has a molecular weight of 244.16 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-cyclopentyl-N-methylaniline is sourced from PubChem (CID 66960790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).