[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methanamine

C13H19NO2 — CID 62306598

IUPAC[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methanamine
SMILESCc1ccc(CN)c(OCC2CCCO2)c1
InChIInChI=1S/C13H19NO2/c1-10-4-5-11(8-14)13(7-10)16-9-12-3-2-6-15-12/h4-5,7,12H,2-3,6,8-9,14H2,1H3
InChIKeyXKJGVUBROYSFBO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.01
Rot. Bonds4

About [4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methanamine

[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methanamine (PubChem CID 62306598) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methanamine
PubChem CID62306598
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methanamine
SMILESCc1ccc(CN)c(OCC2CCCO2)c1
InChIInChI=1S/C13H19NO2/c1-10-4-5-11(8-14)13(7-10)16-9-12-3-2-6-15-12/h4-5,7,12H,2-3,6,8-9,14H2,1H3
InChIKeyXKJGVUBROYSFBO-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethoxybenzylamine
CID 123465
2,3-Dimethoxybenzylamine
CID 78106
2,5-Dimethoxybenzenemethanamine
CID 18652
(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methanamine
CID 2794995
1-(2-Isopropoxyphenyl)methanamine
CID 735893
[2-(Cyclopentyloxy)phenyl]methanamine
CID 16793964
1-(3-Isopropoxyphenyl)methanamine
CID 2760935
(2,6-Dipropoxyphenyl)methanamine;hydrochloride
CID 19835678
(2,6-Diethoxyphenyl)methanamine hydrochloride
CID 19835684
(2,6-Dibutoxyphenyl)methanamine;hydrochloride
CID 19835688
(2-Ethoxyphenyl)methanamine hydrochloride
CID 24721670
3-Methyl-1-(2-propoxyphenyl)butan-1-amine
CID 72040222

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methanamine?
The IUPAC name of [4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methanamine (CID 62306598) is [4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methanamine is Cc1ccc(CN)c(OCC2CCCO2)c1.
What is the InChIKey of [4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methanamine?
The InChIKey is XKJGVUBROYSFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-4-5-11(8-14)13(7-10)16-9-12-3-2-6-15-12/h4-5,7,12H,2-3,6,8-9,14H2,1H3.
What are the key properties of [4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methanamine?
[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methanamine has a molecular weight of 221.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 62306598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).