1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[2-(oxolan-3-yl)ethyl]ethanamine

C17H27NO3 — CID 104537926

IUPAC1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[2-(oxolan-3-yl)ethyl]ethanamine
SMILESCOCc1cc(C(C)NCCC2CCOC2)ccc1OC
InChIInChI=1S/C17H27NO3/c1-13(18-8-6-14-7-9-21-11-14)15-4-5-17(20-3)16(10-15)12-19-2/h4-5,10,13-14,18H,6-9,11-12H2,1-3H3
InChIKeyNQQZFLKECXZNMP-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.92
Rot. Bonds8

About 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[2-(oxolan-3-yl)ethyl]ethanamine

1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[2-(oxolan-3-yl)ethyl]ethanamine (PubChem CID 104537926) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[2-(oxolan-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[2-(oxolan-3-yl)ethyl]ethanamine
PubChem CID104537926
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[2-(oxolan-3-yl)ethyl]ethanamine
SMILESCOCc1cc(C(C)NCCC2CCOC2)ccc1OC
InChIInChI=1S/C17H27NO3/c1-13(18-8-6-14-7-9-21-11-14)15-4-5-17(20-3)16(10-15)12-19-2/h4-5,10,13-14,18H,6-9,11-12H2,1-3H3
InChIKeyNQQZFLKECXZNMP-UHFFFAOYSA-N
XLogP2.92
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine
CID 63727807
1-(3,4-dimethylphenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 113424522
1-(1,3-benzodioxol-5-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 103878969
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 104538043
4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol
CID 64910692
3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
CID 43514919
1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 60855240
2-[5-[1-(2-cyclobutylethylamino)ethyl]-2-methoxyphenyl]acetonitrile
CID 166200213
1-cyclopropyl-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-2-amine
CID 63989729
5-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]-2-methylpentan-1-ol
CID 103905531
N-[2-(furan-2-yl)ethyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 43515337
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-3-methylsulfinylpropan-1-amine
CID 115721031

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[2-(oxolan-3-yl)ethyl]ethanamine?
The IUPAC name of 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[2-(oxolan-3-yl)ethyl]ethanamine (CID 104537926) is 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[2-(oxolan-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[2-(oxolan-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[2-(oxolan-3-yl)ethyl]ethanamine is COCc1cc(C(C)NCCC2CCOC2)ccc1OC.
What is the InChIKey of 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[2-(oxolan-3-yl)ethyl]ethanamine?
The InChIKey is NQQZFLKECXZNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(18-8-6-14-7-9-21-11-14)15-4-5-17(20-3)16(10-15)12-19-2/h4-5,10,13-14,18H,6-9,11-12H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[2-(oxolan-3-yl)ethyl]ethanamine?
1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[2-(oxolan-3-yl)ethyl]ethanamine has a molecular weight of 293.41 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[2-(oxolan-3-yl)ethyl]ethanamine is sourced from PubChem (CID 104537926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).