2-methoxy-N-(oxolan-3-ylmethyl)ethanamine

C8H17NO2 — CID 43190181

IUPAC2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
SMILESCOCCNCC1CCOC1
InChIInChI=1S/C8H17NO2/c1-10-5-3-9-6-8-2-4-11-7-8/h8-9H,2-7H2,1H3
InChIKeyKPXQKDHXRUSCKB-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.26
Rot. Bonds5

About 2-methoxy-N-(oxolan-3-ylmethyl)ethanamine

2-methoxy-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 43190181) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-methoxy-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID43190181
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
SMILESCOCCNCC1CCOC1
InChIInChI=1S/C8H17NO2/c1-10-5-3-9-6-8-2-4-11-7-8/h8-9H,2-7H2,1H3
InChIKeyKPXQKDHXRUSCKB-UHFFFAOYSA-N
XLogP0.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine
CID 43205123
N'-(2-methoxyethyl)-N'-methyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 62557389
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678
2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 62593612
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62582727
2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 104561873
5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine
CID 115685550
2-(3,5-dimethylcyclohexyl)oxy-N-(oxolan-3-ylmethyl)ethanamine
CID 64731405
N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490796
N-(oxolan-3-ylmethyl)-2-(2,3,4,5,6-pentafluorophenoxy)ethanamine
CID 62584158
2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 60815560

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-N-(oxolan-3-ylmethyl)ethanamine (CID 43190181) is 2-methoxy-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-(oxolan-3-ylmethyl)ethanamine is COCCNCC1CCOC1.
What is the InChIKey of 2-methoxy-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is KPXQKDHXRUSCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-10-5-3-9-6-8-2-4-11-7-8/h8-9H,2-7H2,1H3.
What are the key properties of 2-methoxy-N-(oxolan-3-ylmethyl)ethanamine?
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 159.23 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 43190181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).