3-chloro-N-cyclopentyl-2-methoxyaniline

C12H16ClNO — CID 115884195

IUPAC3-chloro-N-cyclopentyl-2-methoxyaniline
SMILESCOc1c(Cl)cccc1NC1CCCC1
InChIInChI=1S/C12H16ClNO/c1-15-12-10(13)7-4-8-11(12)14-9-5-2-3-6-9/h4,7-9,14H,2-3,5-6H2,1H3
InChIKeyJAHOQLOFIACHRC-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.70
Rot. Bonds3

About 3-chloro-N-cyclopentyl-2-methoxyaniline

3-chloro-N-cyclopentyl-2-methoxyaniline (PubChem CID 115884195) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-chloro-N-cyclopentyl-2-methoxyaniline.

Molecular Properties

Compound Name3-chloro-N-cyclopentyl-2-methoxyaniline
PubChem CID115884195
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-chloro-N-cyclopentyl-2-methoxyaniline
SMILESCOc1c(Cl)cccc1NC1CCCC1
InChIInChI=1S/C12H16ClNO/c1-15-12-10(13)7-4-8-11(12)14-9-5-2-3-6-9/h4,7-9,14H,2-3,5-6H2,1H3
InChIKeyJAHOQLOFIACHRC-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopentyl-2-methoxyaniline?
The IUPAC name of 3-chloro-N-cyclopentyl-2-methoxyaniline (CID 115884195) is 3-chloro-N-cyclopentyl-2-methoxyaniline.
What is the SMILES notation for 3-chloro-N-cyclopentyl-2-methoxyaniline?
The canonical SMILES for 3-chloro-N-cyclopentyl-2-methoxyaniline is COc1c(Cl)cccc1NC1CCCC1.
What is the InChIKey of 3-chloro-N-cyclopentyl-2-methoxyaniline?
The InChIKey is JAHOQLOFIACHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-15-12-10(13)7-4-8-11(12)14-9-5-2-3-6-9/h4,7-9,14H,2-3,5-6H2,1H3.
What are the key properties of 3-chloro-N-cyclopentyl-2-methoxyaniline?
3-chloro-N-cyclopentyl-2-methoxyaniline has a molecular weight of 225.72 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopentyl-2-methoxyaniline is sourced from PubChem (CID 115884195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).