2,5-dichloro-N-cyclopentyl-4-methylaniline

C12H15Cl2N — CID 104726288

IUPAC2,5-dichloro-N-cyclopentyl-4-methylaniline
SMILESCc1cc(Cl)c(NC2CCCC2)cc1Cl
InChIInChI=1S/C12H15Cl2N/c1-8-6-11(14)12(7-10(8)13)15-9-4-2-3-5-9/h6-7,9,15H,2-5H2,1H3
InChIKeyPAGVHRNLMGOBHQ-UHFFFAOYSA-N
MW244.16 g/mol
LogP4.66
Rot. Bonds2

About 2,5-dichloro-N-cyclopentyl-4-methylaniline

2,5-dichloro-N-cyclopentyl-4-methylaniline (PubChem CID 104726288) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is 2,5-dichloro-N-cyclopentyl-4-methylaniline.

Molecular Properties

Compound Name2,5-dichloro-N-cyclopentyl-4-methylaniline
PubChem CID104726288
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC Name2,5-dichloro-N-cyclopentyl-4-methylaniline
SMILESCc1cc(Cl)c(NC2CCCC2)cc1Cl
InChIInChI=1S/C12H15Cl2N/c1-8-6-11(14)12(7-10(8)13)15-9-4-2-3-5-9/h6-7,9,15H,2-5H2,1H3
InChIKeyPAGVHRNLMGOBHQ-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dichloro-N-cyclopropyl-4-methylaniline
CID 103439355
N-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine
CID 104726369
2,4,5-trichloro-N-cyclohexylaniline
CID 28553160
N-(2,5-dichloro-4-methylphenyl)-1,1-dioxothian-3-amine
CID 113445780
2,5-dichloro-N-(3-ethylcyclohexyl)-4-methylaniline
CID 104726174
4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline
CID 30050493
2,5-dichloro-4-methyl-N-(3-methylsulfonylcyclohexyl)aniline
CID 104726787
4-(2,5-dichloro-4-methylanilino)azepan-2-one
CID 113445818
N-(2,5-dichloro-4-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 104726156
N-(2,5-dichloro-4-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 104726429
3-(2,5-dichloro-4-methylanilino)azepan-2-one
CID 113445834
N-(2-bromo-5-chloro-4-methylphenyl)oxepan-4-amine
CID 113445409

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-cyclopentyl-4-methylaniline?
The IUPAC name of 2,5-dichloro-N-cyclopentyl-4-methylaniline (CID 104726288) is 2,5-dichloro-N-cyclopentyl-4-methylaniline.
What is the SMILES notation for 2,5-dichloro-N-cyclopentyl-4-methylaniline?
The canonical SMILES for 2,5-dichloro-N-cyclopentyl-4-methylaniline is Cc1cc(Cl)c(NC2CCCC2)cc1Cl.
What is the InChIKey of 2,5-dichloro-N-cyclopentyl-4-methylaniline?
The InChIKey is PAGVHRNLMGOBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N/c1-8-6-11(14)12(7-10(8)13)15-9-4-2-3-5-9/h6-7,9,15H,2-5H2,1H3.
What are the key properties of 2,5-dichloro-N-cyclopentyl-4-methylaniline?
2,5-dichloro-N-cyclopentyl-4-methylaniline has a molecular weight of 244.16 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-cyclopentyl-4-methylaniline is sourced from PubChem (CID 104726288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).