1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride

C13H20ClNO — CID 155890234

IUPAC1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
SMILESCC(N)c1ccc(OC2CCCC2)cc1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-10(14)11-6-8-13(9-7-11)15-12-4-2-3-5-12;/h6-10,12H,2-5,14H2,1H3;1H
InChIKeyODEOQGZEQRNFFK-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.45
Rot. Bonds3

About 1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride

1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride (PubChem CID 155890234) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
PubChem CID155890234
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
SMILESCC(N)c1ccc(OC2CCCC2)cc1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-10(14)11-6-8-13(9-7-11)15-12-4-2-3-5-12;/h6-10,12H,2-5,14H2,1H3;1H
InChIKeyODEOQGZEQRNFFK-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(3-methoxycyclohexyl)oxyphenyl]ethanamine
CID 78958674
1-cyclopentyloxy-4-propan-2-ylbenzene
CID 10442918
(1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine
CID 78967085
4-(4-cyclohexyloxyphenyl)pent-1-en-3-amine
CID 20976404
(1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride
CID 175741673
1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64737275
(1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64734743
(1R)-1-(4-cyclopentyloxyphenyl)-N-methylethanamine
CID 93007238
cycloheptyl-(4-cyclopropyloxyphenyl)methanamine
CID 114519512
1-[4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556855
1-(4-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114519212
(1S)-1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanamine
CID 113369198

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride?
The IUPAC name of 1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride (CID 155890234) is 1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride is CC(N)c1ccc(OC2CCCC2)cc1.Cl.
What is the InChIKey of 1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride?
The InChIKey is ODEOQGZEQRNFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-10(14)11-6-8-13(9-7-11)15-12-4-2-3-5-12;/h6-10,12H,2-5,14H2,1H3;1H.
What are the key properties of 1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride?
1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 155890234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).