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

C10H11Cl2N — CID 103439355

IUPAC2,5-dichloro-N-cyclopropyl-4-methylaniline
SMILESCc1cc(Cl)c(NC2CC2)cc1Cl
InChIInChI=1S/C10H11Cl2N/c1-6-4-9(12)10(5-8(6)11)13-7-2-3-7/h4-5,7,13H,2-3H2,1H3
InChIKeyIZMSPUBQEIQTBZ-UHFFFAOYSA-N
MW216.11 g/mol
LogP3.88
Rot. Bonds2

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

2,5-dichloro-N-cyclopropyl-4-methylaniline (PubChem CID 103439355) has the molecular formula C10H11Cl2N and a molecular weight of 216.11 g/mol. Its IUPAC name is 2,5-dichloro-N-cyclopropyl-4-methylaniline.

Molecular Properties

Compound Name2,5-dichloro-N-cyclopropyl-4-methylaniline
PubChem CID103439355
Molecular FormulaC10H11Cl2N
Molecular Weight216.11 g/mol
Exact Mass215.03
IUPAC Name2,5-dichloro-N-cyclopropyl-4-methylaniline
SMILESCc1cc(Cl)c(NC2CC2)cc1Cl
InChIInChI=1S/C10H11Cl2N/c1-6-4-9(12)10(5-8(6)11)13-7-2-3-7/h4-5,7,13H,2-3H2,1H3
InChIKeyIZMSPUBQEIQTBZ-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dichloro-N-cyclopentyl-4-methylaniline
CID 104726288
N-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine
CID 104726369
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
2,5-dichloro-N-(3-ethylcyclohexyl)-4-methylaniline
CID 104726174
N-(2,5-dichloro-4-methylphenyl)-1,1-dioxothian-3-amine
CID 113445780
2,5-dichloro-N-[3-(4-chlorophenyl)cyclobutyl]-4-methylaniline
CID 104726394
2,5-dichloro-4-methyl-N-(3-methylsulfonylcyclohexyl)aniline
CID 104726787
4-(2,5-dichloro-4-methylanilino)azepan-2-one
CID 113445818
2,4,5-trichloro-N-cyclohexylaniline
CID 28553160
2,5-dichloro-N-(2,5-dimethylcyclohexyl)-4-methylaniline
CID 113445787
4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline
CID 30050493

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-cyclopropyl-4-methylaniline?
The IUPAC name of 2,5-dichloro-N-cyclopropyl-4-methylaniline (CID 103439355) is 2,5-dichloro-N-cyclopropyl-4-methylaniline.
What is the SMILES notation for 2,5-dichloro-N-cyclopropyl-4-methylaniline?
The canonical SMILES for 2,5-dichloro-N-cyclopropyl-4-methylaniline is Cc1cc(Cl)c(NC2CC2)cc1Cl.
What is the InChIKey of 2,5-dichloro-N-cyclopropyl-4-methylaniline?
The InChIKey is IZMSPUBQEIQTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N/c1-6-4-9(12)10(5-8(6)11)13-7-2-3-7/h4-5,7,13H,2-3H2,1H3.
What are the key properties of 2,5-dichloro-N-cyclopropyl-4-methylaniline?
2,5-dichloro-N-cyclopropyl-4-methylaniline has a molecular weight of 216.11 g/mol, XLogP of 3.88, 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-cyclopropyl-4-methylaniline is sourced from PubChem (CID 103439355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).