2,4-dichloro-N-(3-methylcyclopentyl)aniline

C12H15Cl2N — CID 64502454

IUPAC2,4-dichloro-N-(3-methylcyclopentyl)aniline
SMILESCC1CCC(Nc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C12H15Cl2N/c1-8-2-4-10(6-8)15-12-5-3-9(13)7-11(12)14/h3,5,7-8,10,15H,2,4,6H2,1H3
InChIKeyJCGGDCRPBHDRCA-UHFFFAOYSA-N
MW244.16 g/mol
LogP4.59
Rot. Bonds2

About 2,4-dichloro-N-(3-methylcyclopentyl)aniline

2,4-dichloro-N-(3-methylcyclopentyl)aniline (PubChem CID 64502454) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is 2,4-dichloro-N-(3-methylcyclopentyl)aniline.

Molecular Properties

Compound Name2,4-dichloro-N-(3-methylcyclopentyl)aniline
PubChem CID64502454
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC Name2,4-dichloro-N-(3-methylcyclopentyl)aniline
SMILESCC1CCC(Nc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C12H15Cl2N/c1-8-2-4-10(6-8)15-12-5-3-9(13)7-11(12)14/h3,5,7-8,10,15H,2,4,6H2,1H3
InChIKeyJCGGDCRPBHDRCA-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-fluoro-N-(3-methylcyclopentyl)aniline
CID 64502485
4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline
CID 43111567
2-chloro-4-iodo-N-(3-methylcyclohexyl)aniline
CID 43733640
2,5-difluoro-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376152
1-N-(2,4-dichlorophenyl)cyclohexane-1,3-diamine
CID 79458145
5-chloro-2-fluoro-N-(4-methylcyclohexyl)aniline
CID 43438410
4-chloro-2-fluoro-N-(3-methylcyclobutyl)aniline
CID 103561326
2-methyl-1-N-(3-methylcyclopentyl)benzene-1,4-diamine
CID 114543163
1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea
CID 51421854
4-chloro-N-(3-methylcyclohexyl)-2-nitroaniline
CID 43317145
2,4-dichloro-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 112681827
5-chloro-N-(3-methylcyclohexyl)-2-propoxyaniline
CID 63452896

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3-methylcyclopentyl)aniline?
The IUPAC name of 2,4-dichloro-N-(3-methylcyclopentyl)aniline (CID 64502454) is 2,4-dichloro-N-(3-methylcyclopentyl)aniline.
What is the SMILES notation for 2,4-dichloro-N-(3-methylcyclopentyl)aniline?
The canonical SMILES for 2,4-dichloro-N-(3-methylcyclopentyl)aniline is CC1CCC(Nc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 2,4-dichloro-N-(3-methylcyclopentyl)aniline?
The InChIKey is JCGGDCRPBHDRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N/c1-8-2-4-10(6-8)15-12-5-3-9(13)7-11(12)14/h3,5,7-8,10,15H,2,4,6H2,1H3.
What are the key properties of 2,4-dichloro-N-(3-methylcyclopentyl)aniline?
2,4-dichloro-N-(3-methylcyclopentyl)aniline has a molecular weight of 244.16 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(3-methylcyclopentyl)aniline is sourced from PubChem (CID 64502454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).