N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine

C16H24ClNO — CID 105080955

IUPACN-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
SMILESCCCNC(COc1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C16H24ClNO/c1-2-10-18-16(13-6-3-4-7-13)12-19-15-9-5-8-14(17)11-15/h5,8-9,11,13,16,18H,2-4,6-7,10,12H2,1H3
InChIKeyLUXXHJMSBLZHDN-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.28
Rot. Bonds7

About N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine

N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine (PubChem CID 105080955) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
PubChem CID105080955
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
SMILESCCCNC(COc1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C16H24ClNO/c1-2-10-18-16(13-6-3-4-7-13)12-19-15-9-5-8-14(17)11-15/h5,8-9,11,13,16,18H,2-4,6-7,10,12H2,1H3
InChIKeyLUXXHJMSBLZHDN-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-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine
CID 104748574
N-[1-cyclopropyl-2-(3-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 63914018
N-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine
CID 104749569
3-[2-cyclopropyl-2-(propylamino)ethoxy]-N,N-dimethylaniline
CID 63906270
N-[2-(2-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
CID 104749295
N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine
CID 104748399
N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine
CID 104748438
1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine
CID 104748428
1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine
CID 105168543
N-[1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 104748610
N-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
CID 104754287
N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
CID 80610112

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine?
The IUPAC name of N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine (CID 105080955) is N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine is CCCNC(COc1cccc(Cl)c1)C1CCCC1.
What is the InChIKey of N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine?
The InChIKey is LUXXHJMSBLZHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-2-10-18-16(13-6-3-4-7-13)12-19-15-9-5-8-14(17)11-15/h5,8-9,11,13,16,18H,2-4,6-7,10,12H2,1H3.
What are the key properties of N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine?
N-[2-(3-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-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine is sourced from PubChem (CID 105080955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).