2-(5-chloro-4-methoxy-2-methylphenyl)-2-cyclopentylethanamine

C15H22ClNO — CID 82304977

IUPAC2-(5-chloro-4-methoxy-2-methylphenyl)-2-cyclopentylethanamine
SMILESCOc1cc(C)c(C(CN)C2CCCC2)cc1Cl
InChIInChI=1S/C15H22ClNO/c1-10-7-15(18-2)14(16)8-12(10)13(9-17)11-5-3-4-6-11/h7-8,11,13H,3-6,9,17H2,1-2H3
InChIKeyIJUYGOVEUCFHKE-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.89
Rot. Bonds4

About 2-(5-chloro-4-methoxy-2-methylphenyl)-2-cyclopentylethanamine

2-(5-chloro-4-methoxy-2-methylphenyl)-2-cyclopentylethanamine (PubChem CID 82304977) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-(5-chloro-4-methoxy-2-methylphenyl)-2-cyclopentylethanamine.

Molecular Properties

Compound Name2-(5-chloro-4-methoxy-2-methylphenyl)-2-cyclopentylethanamine
PubChem CID82304977
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-(5-chloro-4-methoxy-2-methylphenyl)-2-cyclopentylethanamine
SMILESCOc1cc(C)c(C(CN)C2CCCC2)cc1Cl
InChIInChI=1S/C15H22ClNO/c1-10-7-15(18-2)14(16)8-12(10)13(9-17)11-5-3-4-6-11/h7-8,11,13H,3-6,9,17H2,1-2H3
InChIKeyIJUYGOVEUCFHKE-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine
CID 82292642
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
2-(4-chloro-2-methylphenyl)-2-cyclopentylethanamine
CID 83824559
2-cyclopropyl-2-(2,4,5-trimethylphenyl)ethanamine
CID 82282694
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)ethanethiol
CID 116868616
2-(2-methoxy-4,5-dimethylphenyl)-2-(3-methylcyclohexyl)ethanamine
CID 83974856
2-cyclopentyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 82500943
1-(5-chloro-4-methoxy-2-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935046
2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine
CID 82024046
1-(5-chloro-4-methoxy-2-methylphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948716
(5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-2-ylmethanamine
CID 82299044
(1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine
CID 66517766

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-methoxy-2-methylphenyl)-2-cyclopentylethanamine?
The IUPAC name of 2-(5-chloro-4-methoxy-2-methylphenyl)-2-cyclopentylethanamine (CID 82304977) is 2-(5-chloro-4-methoxy-2-methylphenyl)-2-cyclopentylethanamine.
What is the SMILES notation for 2-(5-chloro-4-methoxy-2-methylphenyl)-2-cyclopentylethanamine?
The canonical SMILES for 2-(5-chloro-4-methoxy-2-methylphenyl)-2-cyclopentylethanamine is COc1cc(C)c(C(CN)C2CCCC2)cc1Cl.
What is the InChIKey of 2-(5-chloro-4-methoxy-2-methylphenyl)-2-cyclopentylethanamine?
The InChIKey is IJUYGOVEUCFHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-10-7-15(18-2)14(16)8-12(10)13(9-17)11-5-3-4-6-11/h7-8,11,13H,3-6,9,17H2,1-2H3.
What are the key properties of 2-(5-chloro-4-methoxy-2-methylphenyl)-2-cyclopentylethanamine?
2-(5-chloro-4-methoxy-2-methylphenyl)-2-cyclopentylethanamine has a molecular weight of 267.80 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-methoxy-2-methylphenyl)-2-cyclopentylethanamine is sourced from PubChem (CID 82304977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).