[3-(cyclopentyloxymethyl)phenyl]methanamine

C13H19NO — CID 16788130

IUPAC[3-(cyclopentyloxymethyl)phenyl]methanamine
SMILESNCc1cccc(COC2CCCC2)c1
InChIInChI=1S/C13H19NO/c14-9-11-4-3-5-12(8-11)10-15-13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,9-10,14H2
InChIKeyBIFXUMFESRNNRN-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.60
Rot. Bonds4

About [3-(cyclopentyloxymethyl)phenyl]methanamine

[3-(cyclopentyloxymethyl)phenyl]methanamine (PubChem CID 16788130) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [3-(cyclopentyloxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(cyclopentyloxymethyl)phenyl]methanamine
PubChem CID16788130
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[3-(cyclopentyloxymethyl)phenyl]methanamine
SMILESNCc1cccc(COC2CCCC2)c1
InChIInChI=1S/C13H19NO/c14-9-11-4-3-5-12(8-11)10-15-13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,9-10,14H2
InChIKeyBIFXUMFESRNNRN-UHFFFAOYSA-N
XLogP2.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopentyloxymethyl)phenyl]methanamine?
The IUPAC name of [3-(cyclopentyloxymethyl)phenyl]methanamine (CID 16788130) is [3-(cyclopentyloxymethyl)phenyl]methanamine.
What is the SMILES notation for [3-(cyclopentyloxymethyl)phenyl]methanamine?
The canonical SMILES for [3-(cyclopentyloxymethyl)phenyl]methanamine is NCc1cccc(COC2CCCC2)c1.
What is the InChIKey of [3-(cyclopentyloxymethyl)phenyl]methanamine?
The InChIKey is BIFXUMFESRNNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c14-9-11-4-3-5-12(8-11)10-15-13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,9-10,14H2.
What are the key properties of [3-(cyclopentyloxymethyl)phenyl]methanamine?
[3-(cyclopentyloxymethyl)phenyl]methanamine has a molecular weight of 205.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopentyloxymethyl)phenyl]methanamine is sourced from PubChem (CID 16788130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).