1-(4-methoxyphenyl)cyclopentan-1-amine;hydrochloride

C12H18ClNO — CID 45380294

IUPAC1-(4-methoxyphenyl)cyclopentan-1-amine;hydrochloride
SMILESCOc1ccc(C2(N)CCCC2)cc1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-14-11-6-4-10(5-7-11)12(13)8-2-3-9-12;/h4-7H,2-3,8-9,13H2,1H3;1H
InChIKeyNFINDQKJMNKQEM-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.85
Rot. Bonds2

About 1-(4-methoxyphenyl)cyclopentan-1-amine;hydrochloride

1-(4-methoxyphenyl)cyclopentan-1-amine;hydrochloride (PubChem CID 45380294) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-methoxyphenyl)cyclopentan-1-amine;hydrochloride
PubChem CID45380294
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name1-(4-methoxyphenyl)cyclopentan-1-amine;hydrochloride
SMILESCOc1ccc(C2(N)CCCC2)cc1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-14-11-6-4-10(5-7-11)12(13)8-2-3-9-12;/h4-7H,2-3,8-9,13H2,1H3;1H
InChIKeyNFINDQKJMNKQEM-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-(4-methoxyphenyl)cyclopentan-1-amine;hydrochloride (CID 45380294) is 1-(4-methoxyphenyl)cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-(4-methoxyphenyl)cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-(4-methoxyphenyl)cyclopentan-1-amine;hydrochloride is COc1ccc(C2(N)CCCC2)cc1.Cl.
What is the InChIKey of 1-(4-methoxyphenyl)cyclopentan-1-amine;hydrochloride?
The InChIKey is NFINDQKJMNKQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-14-11-6-4-10(5-7-11)12(13)8-2-3-9-12;/h4-7H,2-3,8-9,13H2,1H3;1H.
What are the key properties of 1-(4-methoxyphenyl)cyclopentan-1-amine;hydrochloride?
1-(4-methoxyphenyl)cyclopentan-1-amine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 45380294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).