2-(3-ethoxyphenyl)oxan-3-amine

C13H19NO2 — CID 79365505

IUPAC2-(3-ethoxyphenyl)oxan-3-amine
SMILESCCOc1cccc(C2OCCCC2N)c1
InChIInChI=1S/C13H19NO2/c1-2-15-11-6-3-5-10(9-11)13-12(14)7-4-8-16-13/h3,5-6,9,12-13H,2,4,7-8,14H2,1H3
InChIKeyWEGURTLDFMSTJM-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.26
Rot. Bonds3

About 2-(3-ethoxyphenyl)oxan-3-amine

2-(3-ethoxyphenyl)oxan-3-amine (PubChem CID 79365505) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)oxan-3-amine.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)oxan-3-amine
PubChem CID79365505
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(3-ethoxyphenyl)oxan-3-amine
SMILESCCOc1cccc(C2OCCCC2N)c1
InChIInChI=1S/C13H19NO2/c1-2-15-11-6-3-5-10(9-11)13-12(14)7-4-8-16-13/h3,5-6,9,12-13H,2,4,7-8,14H2,1H3
InChIKeyWEGURTLDFMSTJM-UHFFFAOYSA-N
XLogP2.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-ethoxyphenyl)oxolan-3-yl]methanol
CID 79365153
2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 71758190
N-[[2-(3-propoxyphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79370941
3-(3-ethoxyphenyl)-2-methylcyclobutan-1-amine
CID 81415517
(2R,3S)-2-phenyloxan-3-amine
CID 131044940
1-[2-(3-ethoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)piperazine
CID 50956772
(3R,4S)-4-(3-ethoxyphenyl)-1-methylpyrrolidin-3-amine
CID 99986785
(3S,4S)-4-(3-ethoxyphenyl)pyrrolidin-3-amine
CID 129493439
4-(3-ethoxyphenyl)pyrrolidin-3-amine
CID 121199808
2-(3,4-dimethoxyphenyl)oxan-3-amine
CID 79365049
N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 60873140
3-(3-ethoxyphenyl)pyrrolidine
CID 62064360

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)oxan-3-amine?
The IUPAC name of 2-(3-ethoxyphenyl)oxan-3-amine (CID 79365505) is 2-(3-ethoxyphenyl)oxan-3-amine.
What is the SMILES notation for 2-(3-ethoxyphenyl)oxan-3-amine?
The canonical SMILES for 2-(3-ethoxyphenyl)oxan-3-amine is CCOc1cccc(C2OCCCC2N)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)oxan-3-amine?
The InChIKey is WEGURTLDFMSTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-15-11-6-3-5-10(9-11)13-12(14)7-4-8-16-13/h3,5-6,9,12-13H,2,4,7-8,14H2,1H3.
What are the key properties of 2-(3-ethoxyphenyl)oxan-3-amine?
2-(3-ethoxyphenyl)oxan-3-amine has a molecular weight of 221.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)oxan-3-amine is sourced from PubChem (CID 79365505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).