4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline

C13H18ClNO — CID 30050493

IUPAC4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline
SMILESCOc1cc(Cl)c(C)cc1NC1CCCC1
InChIInChI=1S/C13H18ClNO/c1-9-7-12(13(16-2)8-11(9)14)15-10-5-3-4-6-10/h7-8,10,15H,3-6H2,1-2H3
InChIKeyZQQLJRVFDZFCLK-UHFFFAOYSA-N
MW239.75 g/mol
LogP4.01
Rot. Bonds3

About 4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline

4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline (PubChem CID 30050493) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline.

Molecular Properties

Compound Name4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline
PubChem CID30050493
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline
SMILESCOc1cc(Cl)c(C)cc1NC1CCCC1
InChIInChI=1S/C13H18ClNO/c1-9-7-12(13(16-2)8-11(9)14)15-10-5-3-4-6-10/h7-8,10,15H,3-6H2,1-2H3
InChIKeyZQQLJRVFDZFCLK-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(4-ethylcyclohexyl)-2-methoxy-5-methylaniline
CID 29287778
4-(4-chloro-2-methoxy-5-methylanilino)azepan-2-one
CID 63903695
4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline
CID 43106401
2,5-dichloro-N-cyclopentyl-4-methylaniline
CID 104726288
N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106657991
4-chloro-2-methoxy-5-methyl-N-(3-phenylcyclobutyl)aniline
CID 43632094
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109322086
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine
CID 82298659
N-cyclopentyl-2-methoxy-4-methylaniline
CID 60932098
4-chloro-2,5-dimethoxy-N-(3-methylcyclohexyl)aniline
CID 43096450
N-(2-methoxy-4-methylphenyl)cycloheptanamine
CID 54865924
N-(4-chloro-2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43102702

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline?
The IUPAC name of 4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline (CID 30050493) is 4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline.
What is the SMILES notation for 4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline?
The canonical SMILES for 4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline is COc1cc(Cl)c(C)cc1NC1CCCC1.
What is the InChIKey of 4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline?
The InChIKey is ZQQLJRVFDZFCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-7-12(13(16-2)8-11(9)14)15-10-5-3-4-6-10/h7-8,10,15H,3-6H2,1-2H3.
What are the key properties of 4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline?
4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline has a molecular weight of 239.75 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline is sourced from PubChem (CID 30050493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).