N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine

C16H25NO2 — CID 65166969

IUPACN-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)c1cccc(OC)c1
InChIInChI=1S/C16H25NO2/c1-3-17-16(10-9-14-8-5-11-19-14)13-6-4-7-15(12-13)18-2/h4,6-7,12,14,16-17H,3,5,8-11H2,1-2H3
InChIKeyKWTGSLCBQAXDFK-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.31
Rot. Bonds7

About N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine

N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 65166969) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID65166969
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)c1cccc(OC)c1
InChIInChI=1S/C16H25NO2/c1-3-17-16(10-9-14-8-5-11-19-14)13-6-4-7-15(12-13)18-2/h4,6-7,12,14,16-17H,3,5,8-11H2,1-2H3
InChIKeyKWTGSLCBQAXDFK-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65167020
N-ethyl-3-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 104993653
N-ethyl-1-(3-ethylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 105018534
1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167019
1-(3-cyclobutylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 105053635
N-ethyl-3-(oxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 65166820
N-ethyl-1-(2-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166709
1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 115785497
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166981
1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 65378177
1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65156023
1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105018462

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine (CID 65166969) is N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine is CCNC(CCC1CCCO1)c1cccc(OC)c1.
What is the InChIKey of N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is KWTGSLCBQAXDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-17-16(10-9-14-8-5-11-19-14)13-6-4-7-15(12-13)18-2/h4,6-7,12,14,16-17H,3,5,8-11H2,1-2H3.
What are the key properties of N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine?
N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 65166969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).