[2-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine

C15H23NO — CID 115039783

IUPAC[2-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine
SMILESCCOCC1(c2ccccc2CN)CCCC1
InChIInChI=1S/C15H23NO/c1-2-17-12-15(9-5-6-10-15)14-8-4-3-7-13(14)11-16/h3-4,7-8H,2,5-6,9-12,16H2,1H3
InChIKeyLKIRSCSATJBMDW-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.99
Rot. Bonds5

About [2-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine

[2-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine (PubChem CID 115039783) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is [2-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine
PubChem CID115039783
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name[2-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine
SMILESCCOCC1(c2ccccc2CN)CCCC1
InChIInChI=1S/C15H23NO/c1-2-17-12-15(9-5-6-10-15)14-8-4-3-7-13(14)11-16/h3-4,7-8H,2,5-6,9-12,16H2,1H3
InChIKeyLKIRSCSATJBMDW-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine?
The IUPAC name of [2-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine (CID 115039783) is [2-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine.
What is the SMILES notation for [2-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine?
The canonical SMILES for [2-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine is CCOCC1(c2ccccc2CN)CCCC1.
What is the InChIKey of [2-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine?
The InChIKey is LKIRSCSATJBMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-17-12-15(9-5-6-10-15)14-8-4-3-7-13(14)11-16/h3-4,7-8H,2,5-6,9-12,16H2,1H3.
What are the key properties of [2-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine?
[2-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine has a molecular weight of 233.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine is sourced from PubChem (CID 115039783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).