N-[(3-ethoxy-2-methoxyphenyl)methyl]oxolan-3-amine

C14H21NO3 — CID 80713225

IUPACN-[(3-ethoxy-2-methoxyphenyl)methyl]oxolan-3-amine
SMILESCCOc1cccc(CNC2CCOC2)c1OC
InChIInChI=1S/C14H21NO3/c1-3-18-13-6-4-5-11(14(13)16-2)9-15-12-7-8-17-10-12/h4-6,12,15H,3,7-10H2,1-2H3
InChIKeyHAHQUYUEUGAYTA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.97
Rot. Bonds6

About N-[(3-ethoxy-2-methoxyphenyl)methyl]oxolan-3-amine

N-[(3-ethoxy-2-methoxyphenyl)methyl]oxolan-3-amine (PubChem CID 80713225) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(3-ethoxy-2-methoxyphenyl)methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-2-methoxyphenyl)methyl]oxolan-3-amine
PubChem CID80713225
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[(3-ethoxy-2-methoxyphenyl)methyl]oxolan-3-amine
SMILESCCOc1cccc(CNC2CCOC2)c1OC
InChIInChI=1S/C14H21NO3/c1-3-18-13-6-4-5-11(14(13)16-2)9-15-12-7-8-17-10-12/h4-6,12,15H,3,7-10H2,1-2H3
InChIKeyHAHQUYUEUGAYTA-UHFFFAOYSA-N
XLogP1.97
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(2,3-dimethoxyphenyl)methyl]oxan-3-amine
CID 95986911
4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 43220624
(5S,9S)-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 97255380
N-[(3-ethoxy-2-methoxyphenyl)methyl]thiolan-3-amine
CID 103701615
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
CID 55071667
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43434085
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
1-cyclopropyl-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine
CID 43224478
N-[[3-ethoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61311100
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 54931890

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-2-methoxyphenyl)methyl]oxolan-3-amine?
The IUPAC name of N-[(3-ethoxy-2-methoxyphenyl)methyl]oxolan-3-amine (CID 80713225) is N-[(3-ethoxy-2-methoxyphenyl)methyl]oxolan-3-amine.
What is the SMILES notation for N-[(3-ethoxy-2-methoxyphenyl)methyl]oxolan-3-amine?
The canonical SMILES for N-[(3-ethoxy-2-methoxyphenyl)methyl]oxolan-3-amine is CCOc1cccc(CNC2CCOC2)c1OC.
What is the InChIKey of N-[(3-ethoxy-2-methoxyphenyl)methyl]oxolan-3-amine?
The InChIKey is HAHQUYUEUGAYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-18-13-6-4-5-11(14(13)16-2)9-15-12-7-8-17-10-12/h4-6,12,15H,3,7-10H2,1-2H3.
What are the key properties of N-[(3-ethoxy-2-methoxyphenyl)methyl]oxolan-3-amine?
N-[(3-ethoxy-2-methoxyphenyl)methyl]oxolan-3-amine has a molecular weight of 251.33 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-2-methoxyphenyl)methyl]oxolan-3-amine is sourced from PubChem (CID 80713225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).