2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride

C13H20ClNO — CID 155896532

IUPAC2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride
SMILESCl.NCCc1cccc(OC2CCCC2)c1
InChIInChI=1S/C13H19NO.ClH/c14-9-8-11-4-3-7-13(10-11)15-12-5-1-2-6-12;/h3-4,7,10,12H,1-2,5-6,8-9,14H2;1H
InChIKeyXGLKZTFCFVNTHL-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.93
Rot. Bonds4

About 2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride

2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride (PubChem CID 155896532) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride
PubChem CID155896532
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride
SMILESCl.NCCc1cccc(OC2CCCC2)c1
InChIInChI=1S/C13H19NO.ClH/c14-9-8-11-4-3-7-13(10-11)15-12-5-1-2-6-12;/h3-4,7,10,12H,1-2,5-6,8-9,14H2;1H
InChIKeyXGLKZTFCFVNTHL-UHFFFAOYSA-N
XLogP2.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-cyclobutyloxyphenyl)propan-1-amine
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1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride
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3-(3-cyclobutyloxyphenyl)propan-1-ol
CID 117294966
(3-ethylphenoxy)cyclooctane
CID 91220327
1-[2-(aminomethyl)piperidin-1-yl]-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride
CID 119469306
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
4-(3-cyclopropyloxyphenyl)butan-2-amine
CID 114522923
2-[3-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine
CID 114246098
[3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride
CID 68965595
1-(3-chloro-4-methylpentyl)-3-cyclopropyloxybenzene
CID 114523075
3-(3-cyclobutyloxyphenyl)butan-1-amine
CID 117313284
3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115004698

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride (CID 155896532) is 2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride is Cl.NCCc1cccc(OC2CCCC2)c1.
What is the InChIKey of 2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride?
The InChIKey is XGLKZTFCFVNTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c14-9-8-11-4-3-7-13(10-11)15-12-5-1-2-6-12;/h3-4,7,10,12H,1-2,5-6,8-9,14H2;1H.
What are the key properties of 2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride?
2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 155896532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).