(2-cyclopentyloxy-4-methoxyphenyl)methanamine

C13H19NO2 — CID 61268139

IUPAC(2-cyclopentyloxy-4-methoxyphenyl)methanamine
SMILESCOc1ccc(CN)c(OC2CCCC2)c1
InChIInChI=1S/C13H19NO2/c1-15-12-7-6-10(9-14)13(8-12)16-11-4-2-3-5-11/h6-8,11H,2-5,9,14H2,1H3
InChIKeyMKELBHHNHHGOFB-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.48
Rot. Bonds4

About (2-cyclopentyloxy-4-methoxyphenyl)methanamine

(2-cyclopentyloxy-4-methoxyphenyl)methanamine (PubChem CID 61268139) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2-cyclopentyloxy-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-cyclopentyloxy-4-methoxyphenyl)methanamine
PubChem CID61268139
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2-cyclopentyloxy-4-methoxyphenyl)methanamine
SMILESCOc1ccc(CN)c(OC2CCCC2)c1
InChIInChI=1S/C13H19NO2/c1-15-12-7-6-10(9-14)13(8-12)16-11-4-2-3-5-11/h6-8,11H,2-5,9,14H2,1H3
InChIKeyMKELBHHNHHGOFB-UHFFFAOYSA-N
XLogP2.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopentyloxy-4-methoxyphenyl)methanamine?
The IUPAC name of (2-cyclopentyloxy-4-methoxyphenyl)methanamine (CID 61268139) is (2-cyclopentyloxy-4-methoxyphenyl)methanamine.
What is the SMILES notation for (2-cyclopentyloxy-4-methoxyphenyl)methanamine?
The canonical SMILES for (2-cyclopentyloxy-4-methoxyphenyl)methanamine is COc1ccc(CN)c(OC2CCCC2)c1.
What is the InChIKey of (2-cyclopentyloxy-4-methoxyphenyl)methanamine?
The InChIKey is MKELBHHNHHGOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-12-7-6-10(9-14)13(8-12)16-11-4-2-3-5-11/h6-8,11H,2-5,9,14H2,1H3.
What are the key properties of (2-cyclopentyloxy-4-methoxyphenyl)methanamine?
(2-cyclopentyloxy-4-methoxyphenyl)methanamine has a molecular weight of 221.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentyloxy-4-methoxyphenyl)methanamine is sourced from PubChem (CID 61268139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).