1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine

C14H21NO3 — CID 16790426

IUPAC1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
SMILESCOc1cc(C(C)N)ccc1OCC1CCCO1
InChIInChI=1S/C14H21NO3/c1-10(15)11-5-6-13(14(8-11)16-2)18-9-12-4-3-7-17-12/h5-6,8,10,12H,3-4,7,9,15H2,1-2H3
InChIKeyHJUMHRCBDLOROP-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.27
Rot. Bonds5

About 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine

1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine (PubChem CID 16790426) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
PubChem CID16790426
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
SMILESCOc1cc(C(C)N)ccc1OCC1CCCO1
InChIInChI=1S/C14H21NO3/c1-10(15)11-5-6-13(14(8-11)16-2)18-9-12-4-3-7-17-12/h5-6,8,10,12H,3-4,7,9,15H2,1-2H3
InChIKeyHJUMHRCBDLOROP-UHFFFAOYSA-N
XLogP2.27
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63364699
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60906681
1-[3-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79166369
(1R)-1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 55191148
1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 61344621
6-(1-aminoethyl)-2-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3H-isoindol-1-one
CID 134549704
1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 113389072
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanamine
CID 104889481
1-(3,4-dimethoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 43184510
1-[4-methoxy-3-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60906922
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167177
(1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 78937766

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine (CID 16790426) is 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine is COc1cc(C(C)N)ccc1OCC1CCCO1.
What is the InChIKey of 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine?
The InChIKey is HJUMHRCBDLOROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(15)11-5-6-13(14(8-11)16-2)18-9-12-4-3-7-17-12/h5-6,8,10,12H,3-4,7,9,15H2,1-2H3.
What are the key properties of 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine?
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine has a molecular weight of 251.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 16790426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).