2-[3-(2-methoxyphenyl)oxolan-3-yl]ethanamine

C13H19NO2 — CID 83822618

IUPAC2-[3-(2-methoxyphenyl)oxolan-3-yl]ethanamine
SMILESCOc1ccccc1C1(CCN)CCOC1
InChIInChI=1S/C13H19NO2/c1-15-12-5-3-2-4-11(12)13(6-8-14)7-9-16-10-13/h2-5H,6-10,14H2,1H3
InChIKeyDIUXLPWDPIZBBQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.70
Rot. Bonds4

About 2-[3-(2-methoxyphenyl)oxolan-3-yl]ethanamine

2-[3-(2-methoxyphenyl)oxolan-3-yl]ethanamine (PubChem CID 83822618) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenyl)oxolan-3-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-methoxyphenyl)oxolan-3-yl]ethanamine
PubChem CID83822618
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[3-(2-methoxyphenyl)oxolan-3-yl]ethanamine
SMILESCOc1ccccc1C1(CCN)CCOC1
InChIInChI=1S/C13H19NO2/c1-15-12-5-3-2-4-11(12)13(6-8-14)7-9-16-10-13/h2-5H,6-10,14H2,1H3
InChIKeyDIUXLPWDPIZBBQ-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-fluorophenyl)oxolan-3-yl]ethanamine
CID 83820638
2-[3-(2-ethylphenyl)oxolan-3-yl]ethanamine
CID 83822203
2-[(2S,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine
CID 906865
2-[3-(4-chloro-2-methylphenyl)oxolan-3-yl]ethanamine
CID 83824748
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]methanesulfonamide
CID 47388317
[5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008172
2-[4-(2-chlorophenyl)oxan-4-yl]ethanamine
CID 82084431
4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120927497
methyl (E)-4-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-4-oxobut-2-enoate
CID 146099557
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334
2-(3-phenyloxan-3-yl)ethanamine
CID 83819944
2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetamide
CID 919628

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenyl)oxolan-3-yl]ethanamine?
The IUPAC name of 2-[3-(2-methoxyphenyl)oxolan-3-yl]ethanamine (CID 83822618) is 2-[3-(2-methoxyphenyl)oxolan-3-yl]ethanamine.
What is the SMILES notation for 2-[3-(2-methoxyphenyl)oxolan-3-yl]ethanamine?
The canonical SMILES for 2-[3-(2-methoxyphenyl)oxolan-3-yl]ethanamine is COc1ccccc1C1(CCN)CCOC1.
What is the InChIKey of 2-[3-(2-methoxyphenyl)oxolan-3-yl]ethanamine?
The InChIKey is DIUXLPWDPIZBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-12-5-3-2-4-11(12)13(6-8-14)7-9-16-10-13/h2-5H,6-10,14H2,1H3.
What are the key properties of 2-[3-(2-methoxyphenyl)oxolan-3-yl]ethanamine?
2-[3-(2-methoxyphenyl)oxolan-3-yl]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenyl)oxolan-3-yl]ethanamine is sourced from PubChem (CID 83822618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).