1-[2-(2-methoxypropyl)phenyl]cyclopentan-1-amine

C15H23NO — CID 117112740

IUPAC1-[2-(2-methoxypropyl)phenyl]cyclopentan-1-amine
SMILESCOC(C)Cc1ccccc1C1(N)CCCC1
InChIInChI=1S/C15H23NO/c1-12(17-2)11-13-7-3-4-8-14(13)15(16)9-5-6-10-15/h3-4,7-8,12H,5-6,9-11,16H2,1-2H3
InChIKeyWKPWSGJJWPYMAZ-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.99
Rot. Bonds4

About 1-[2-(2-methoxypropyl)phenyl]cyclopentan-1-amine

1-[2-(2-methoxypropyl)phenyl]cyclopentan-1-amine (PubChem CID 117112740) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[2-(2-methoxypropyl)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-(2-methoxypropyl)phenyl]cyclopentan-1-amine
PubChem CID117112740
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-[2-(2-methoxypropyl)phenyl]cyclopentan-1-amine
SMILESCOC(C)Cc1ccccc1C1(N)CCCC1
InChIInChI=1S/C15H23NO/c1-12(17-2)11-13-7-3-4-8-14(13)15(16)9-5-6-10-15/h3-4,7-8,12H,5-6,9-11,16H2,1-2H3
InChIKeyWKPWSGJJWPYMAZ-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxypropyl)phenyl]cyclopentan-1-amine?
The IUPAC name of 1-[2-(2-methoxypropyl)phenyl]cyclopentan-1-amine (CID 117112740) is 1-[2-(2-methoxypropyl)phenyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[2-(2-methoxypropyl)phenyl]cyclopentan-1-amine?
The canonical SMILES for 1-[2-(2-methoxypropyl)phenyl]cyclopentan-1-amine is COC(C)Cc1ccccc1C1(N)CCCC1.
What is the InChIKey of 1-[2-(2-methoxypropyl)phenyl]cyclopentan-1-amine?
The InChIKey is WKPWSGJJWPYMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(17-2)11-13-7-3-4-8-14(13)15(16)9-5-6-10-15/h3-4,7-8,12H,5-6,9-11,16H2,1-2H3.
What are the key properties of 1-[2-(2-methoxypropyl)phenyl]cyclopentan-1-amine?
1-[2-(2-methoxypropyl)phenyl]cyclopentan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxypropyl)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 117112740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).