[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine

C12H17NO2 — CID 63558604

IUPAC[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine
SMILESCc1ccc(CN)c(OC2CCOC2)c1
InChIInChI=1S/C12H17NO2/c1-9-2-3-10(7-13)12(6-9)15-11-4-5-14-8-11/h2-3,6,11H,4-5,7-8,13H2,1H3
InChIKeyIMQLXVLZHXSWBM-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.62
Rot. Bonds3

About [4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine

[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine (PubChem CID 63558604) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is [4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine
PubChem CID63558604
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine
SMILESCc1ccc(CN)c(OC2CCOC2)c1
InChIInChI=1S/C12H17NO2/c1-9-2-3-10(7-13)12(6-9)15-11-4-5-14-8-11/h2-3,6,11H,4-5,7-8,13H2,1H3
InChIKeyIMQLXVLZHXSWBM-UHFFFAOYSA-N
XLogP1.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethoxybenzylamine
CID 123465
2,3-Dimethoxybenzylamine
CID 78106
2-Methoxybenzylamine
CID 81292
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

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine?
The IUPAC name of [4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine (CID 63558604) is [4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine.
What is the SMILES notation for [4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine?
The canonical SMILES for [4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine is Cc1ccc(CN)c(OC2CCOC2)c1.
What is the InChIKey of [4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine?
The InChIKey is IMQLXVLZHXSWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-2-3-10(7-13)12(6-9)15-11-4-5-14-8-11/h2-3,6,11H,4-5,7-8,13H2,1H3.
What are the key properties of [4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine?
[4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine has a molecular weight of 207.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(oxolan-3-yloxy)phenyl]methanamine is sourced from PubChem (CID 63558604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).