(2-cyclopentyloxyphenyl)methanamine

C12H17NO — CID 16793964

IUPAC(2-cyclopentyloxyphenyl)methanamine
SMILESNCc1ccccc1OC1CCCC1
InChIInChI=1S/C12H17NO/c13-9-10-5-1-4-8-12(10)14-11-6-2-3-7-11/h1,4-5,8,11H,2-3,6-7,9,13H2
InChIKeyNYCBHEMCYMXECF-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.47
Rot. Bonds3

About (2-cyclopentyloxyphenyl)methanamine

(2-cyclopentyloxyphenyl)methanamine (PubChem CID 16793964) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2-cyclopentyloxyphenyl)methanamine.

Molecular Properties

Compound Name(2-cyclopentyloxyphenyl)methanamine
PubChem CID16793964
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2-cyclopentyloxyphenyl)methanamine
SMILESNCc1ccccc1OC1CCCC1
InChIInChI=1S/C12H17NO/c13-9-10-5-1-4-8-12(10)14-11-6-2-3-7-11/h1,4-5,8,11H,2-3,6-7,9,13H2
InChIKeyNYCBHEMCYMXECF-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopentyloxyphenyl)methanamine?
The IUPAC name of (2-cyclopentyloxyphenyl)methanamine (CID 16793964) is (2-cyclopentyloxyphenyl)methanamine.
What is the SMILES notation for (2-cyclopentyloxyphenyl)methanamine?
The canonical SMILES for (2-cyclopentyloxyphenyl)methanamine is NCc1ccccc1OC1CCCC1.
What is the InChIKey of (2-cyclopentyloxyphenyl)methanamine?
The InChIKey is NYCBHEMCYMXECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-9-10-5-1-4-8-12(10)14-11-6-2-3-7-11/h1,4-5,8,11H,2-3,6-7,9,13H2.
What are the key properties of (2-cyclopentyloxyphenyl)methanamine?
(2-cyclopentyloxyphenyl)methanamine has a molecular weight of 191.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentyloxyphenyl)methanamine is sourced from PubChem (CID 16793964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).