2-[2-(1-methylcyclopentyl)oxyphenyl]ethanamine

C14H21NO — CID 117095350

IUPAC2-[2-(1-methylcyclopentyl)oxyphenyl]ethanamine
SMILESCC1(Oc2ccccc2CCN)CCCC1
InChIInChI=1S/C14H21NO/c1-14(9-4-5-10-14)16-13-7-3-2-6-12(13)8-11-15/h2-3,6-7H,4-5,8-11,15H2,1H3
InChIKeyXRJBCQROIJIYPE-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.90
Rot. Bonds4

About 2-[2-(1-methylcyclopentyl)oxyphenyl]ethanamine

2-[2-(1-methylcyclopentyl)oxyphenyl]ethanamine (PubChem CID 117095350) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[2-(1-methylcyclopentyl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(1-methylcyclopentyl)oxyphenyl]ethanamine
PubChem CID117095350
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[2-(1-methylcyclopentyl)oxyphenyl]ethanamine
SMILESCC1(Oc2ccccc2CCN)CCCC1
InChIInChI=1S/C14H21NO/c1-14(9-4-5-10-14)16-13-7-3-2-6-12(13)8-11-15/h2-3,6-7H,4-5,8-11,15H2,1H3
InChIKeyXRJBCQROIJIYPE-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylcyclopentyl)oxyphenyl]ethanamine?
The IUPAC name of 2-[2-(1-methylcyclopentyl)oxyphenyl]ethanamine (CID 117095350) is 2-[2-(1-methylcyclopentyl)oxyphenyl]ethanamine.
What is the SMILES notation for 2-[2-(1-methylcyclopentyl)oxyphenyl]ethanamine?
The canonical SMILES for 2-[2-(1-methylcyclopentyl)oxyphenyl]ethanamine is CC1(Oc2ccccc2CCN)CCCC1.
What is the InChIKey of 2-[2-(1-methylcyclopentyl)oxyphenyl]ethanamine?
The InChIKey is XRJBCQROIJIYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(9-4-5-10-14)16-13-7-3-2-6-12(13)8-11-15/h2-3,6-7H,4-5,8-11,15H2,1H3.
What are the key properties of 2-[2-(1-methylcyclopentyl)oxyphenyl]ethanamine?
2-[2-(1-methylcyclopentyl)oxyphenyl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylcyclopentyl)oxyphenyl]ethanamine is sourced from PubChem (CID 117095350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).