2-(4-chloro-3-methylphenoxy)-1-cyclopentyl-N-ethylethanamine

C16H24ClNO — CID 104749281

IUPAC2-(4-chloro-3-methylphenoxy)-1-cyclopentyl-N-ethylethanamine
SMILESCCNC(COc1ccc(Cl)c(C)c1)C1CCCC1
InChIInChI=1S/C16H24ClNO/c1-3-18-16(13-6-4-5-7-13)11-19-14-8-9-15(17)12(2)10-14/h8-10,13,16,18H,3-7,11H2,1-2H3
InChIKeyVNAKCTMDSDGQGY-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.20
Rot. Bonds6

About 2-(4-chloro-3-methylphenoxy)-1-cyclopentyl-N-ethylethanamine

2-(4-chloro-3-methylphenoxy)-1-cyclopentyl-N-ethylethanamine (PubChem CID 104749281) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-1-cyclopentyl-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-1-cyclopentyl-N-ethylethanamine
PubChem CID104749281
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-(4-chloro-3-methylphenoxy)-1-cyclopentyl-N-ethylethanamine
SMILESCCNC(COc1ccc(Cl)c(C)c1)C1CCCC1
InChIInChI=1S/C16H24ClNO/c1-3-18-16(13-6-4-5-7-13)11-19-14-8-9-15(17)12(2)10-14/h8-10,13,16,18H,3-7,11H2,1-2H3
InChIKeyVNAKCTMDSDGQGY-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine
CID 104748428
1-cyclohexyl-N-ethyl-2-(2,3,5-trimethylphenoxy)ethanamine
CID 104748853
N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
CID 105080955
1-cyclopropyl-N-ethyl-2-(4-propoxyphenoxy)ethanamine
CID 63908353
(2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol
CID 39840286
1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-cyclohexylurea
CID 119060836
1-(4-chloro-3-methylphenoxy)-N-propylbutan-2-amine
CID 62040001
1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43166207
N-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine
CID 104748574
N-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine
CID 104749569
1-cyclopentyl-N-ethyl-2-(2-fluorophenoxy)ethanamine
CID 113448545
N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine
CID 104748438

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-1-cyclopentyl-N-ethylethanamine?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-1-cyclopentyl-N-ethylethanamine (CID 104749281) is 2-(4-chloro-3-methylphenoxy)-1-cyclopentyl-N-ethylethanamine.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-1-cyclopentyl-N-ethylethanamine?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-1-cyclopentyl-N-ethylethanamine is CCNC(COc1ccc(Cl)c(C)c1)C1CCCC1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-1-cyclopentyl-N-ethylethanamine?
The InChIKey is VNAKCTMDSDGQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-3-18-16(13-6-4-5-7-13)11-19-14-8-9-15(17)12(2)10-14/h8-10,13,16,18H,3-7,11H2,1-2H3.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-1-cyclopentyl-N-ethylethanamine?
2-(4-chloro-3-methylphenoxy)-1-cyclopentyl-N-ethylethanamine has a molecular weight of 281.83 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-1-cyclopentyl-N-ethylethanamine is sourced from PubChem (CID 104749281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).