1-[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]-N-methylethanamine

C16H25NO3 — CID 65159021

IUPAC1-[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCC2CCCO2)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-12(17-2)13-6-7-15(16(11-13)18-3)20-10-8-14-5-4-9-19-14/h6-7,11-12,14,17H,4-5,8-10H2,1-3H3
InChIKeyJBBSJIBATPJQIW-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.92
Rot. Bonds7

About 1-[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]-N-methylethanamine

1-[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]-N-methylethanamine (PubChem CID 65159021) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]-N-methylethanamine
PubChem CID65159021
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCC2CCCO2)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-12(17-2)13-6-7-15(16(11-13)18-3)20-10-8-14-5-4-9-19-14/h6-7,11-12,14,17H,4-5,8-10H2,1-3H3
InChIKeyJBBSJIBATPJQIW-UHFFFAOYSA-N
XLogP2.92
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-methoxy-4-[3-(oxolan-2-yl)propoxy]phenyl]ethanol
CID 65162787
1-(3,4-dimethoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 61039102
2-[2-[4-(chloromethyl)-2-methoxyphenoxy]ethyl]oxolane
CID 65162791
N-[[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 65158637
1-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]-N-methylethanamine
CID 43285091
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
CID 43560128
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 16790426
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 54935544
1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
CID 43279392
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55747392
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167177
1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine
CID 61493746

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]-N-methylethanamine (CID 65159021) is 1-[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]-N-methylethanamine is CNC(C)c1ccc(OCCC2CCCO2)c(OC)c1.
What is the InChIKey of 1-[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]-N-methylethanamine?
The InChIKey is JBBSJIBATPJQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(17-2)13-6-7-15(16(11-13)18-3)20-10-8-14-5-4-9-19-14/h6-7,11-12,14,17H,4-5,8-10H2,1-3H3.
What are the key properties of 1-[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]-N-methylethanamine?
1-[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]-N-methylethanamine has a molecular weight of 279.38 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 65159021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).