1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride

C14H22ClNO — CID 54592852

IUPAC1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1cccc(OC2CCCC2)c1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-11(15)9-12-5-4-8-14(10-12)16-13-6-2-3-7-13;/h4-5,8,10-11,13H,2-3,6-7,9,15H2,1H3;1H
InChIKeyYXZSGEPPGMBELL-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.32
Rot. Bonds4

About 1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride

1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride (PubChem CID 54592852) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride
PubChem CID54592852
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1cccc(OC2CCCC2)c1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-11(15)9-12-5-4-8-14(10-12)16-13-6-2-3-7-13;/h4-5,8,10-11,13H,2-3,6-7,9,15H2,1H3;1H
InChIKeyYXZSGEPPGMBELL-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 155896532
(3-ethylphenoxy)cyclooctane
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1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459309
1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine
CID 79911465
1-(2-bromo-5-cycloheptyloxyphenyl)propan-2-amine
CID 82930684
(2S)-2-amino-N-(3-cyclopentyloxyphenyl)-3-phenylpropanamide;hydrochloride
CID 119284749
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
(3-cyclopentyloxyphenoxy)-tri(propan-2-yl)silane
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3-(3-cyclobutyloxyphenyl)propan-1-amine
CID 117294096
3-(3-cyclobutyloxyphenyl)butan-1-amine
CID 117313284

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride (CID 54592852) is 1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride is CC(N)Cc1cccc(OC2CCCC2)c1.Cl.
What is the InChIKey of 1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride?
The InChIKey is YXZSGEPPGMBELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-11(15)9-12-5-4-8-14(10-12)16-13-6-2-3-7-13;/h4-5,8,10-11,13H,2-3,6-7,9,15H2,1H3;1H.
What are the key properties of 1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride?
1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 54592852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).