N-[2-(2-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine

C16H24ClNO — CID 104749295

IUPACN-[2-(2-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
SMILESCCCNC(COc1ccccc1Cl)C1CCCC1
InChIInChI=1S/C16H24ClNO/c1-2-11-18-15(13-7-3-4-8-13)12-19-16-10-6-5-9-14(16)17/h5-6,9-10,13,15,18H,2-4,7-8,11-12H2,1H3
InChIKeyPQQKHPDSNJYXIP-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.28
Rot. Bonds7

About N-[2-(2-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine

N-[2-(2-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine (PubChem CID 104749295) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
PubChem CID104749295
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[2-(2-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
SMILESCCCNC(COc1ccccc1Cl)C1CCCC1
InChIInChI=1S/C16H24ClNO/c1-2-11-18-15(13-7-3-4-8-13)12-19-16-10-6-5-9-14(16)17/h5-6,9-10,13,15,18H,2-4,7-8,11-12H2,1H3
InChIKeyPQQKHPDSNJYXIP-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine
CID 104748399
N-[1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 104748610
N-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine
CID 104749569
N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
CID 105080955
N-[1-cyclohexyl-2-(2,4-difluorophenoxy)ethyl]propan-1-amine
CID 104748323
1-cyclopentyl-N-ethyl-2-(2-fluorophenoxy)ethanamine
CID 113448545
N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine
CID 104748438
N-[1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethyl]propan-1-amine
CID 63912914
N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine
CID 63906071
1-(2-chlorophenoxy)-3-(1-cyclohexylethylamino)propan-2-ol
CID 62406462
N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104748410
1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol
CID 81388789

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine?
The IUPAC name of N-[2-(2-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine (CID 104749295) is N-[2-(2-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine is CCCNC(COc1ccccc1Cl)C1CCCC1.
What is the InChIKey of N-[2-(2-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine?
The InChIKey is PQQKHPDSNJYXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-2-11-18-15(13-7-3-4-8-13)12-19-16-10-6-5-9-14(16)17/h5-6,9-10,13,15,18H,2-4,7-8,11-12H2,1H3.
What are the key properties of N-[2-(2-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine?
N-[2-(2-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine is sourced from PubChem (CID 104749295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).