N-ethyl-3-methoxy-2-(3-methoxyphenoxy)propan-1-amine

C13H21NO3 — CID 103228176

IUPACN-ethyl-3-methoxy-2-(3-methoxyphenoxy)propan-1-amine
SMILESCCNCC(COC)Oc1cccc(OC)c1
InChIInChI=1S/C13H21NO3/c1-4-14-9-13(10-15-2)17-12-7-5-6-11(8-12)16-3/h5-8,13-14H,4,9-10H2,1-3H3
InChIKeyFMTRCZDOIOAIJD-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.70
Rot. Bonds8

About N-ethyl-3-methoxy-2-(3-methoxyphenoxy)propan-1-amine

N-ethyl-3-methoxy-2-(3-methoxyphenoxy)propan-1-amine (PubChem CID 103228176) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-ethyl-3-methoxy-2-(3-methoxyphenoxy)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-2-(3-methoxyphenoxy)propan-1-amine
PubChem CID103228176
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-ethyl-3-methoxy-2-(3-methoxyphenoxy)propan-1-amine
SMILESCCNCC(COC)Oc1cccc(OC)c1
InChIInChI=1S/C13H21NO3/c1-4-14-9-13(10-15-2)17-12-7-5-6-11(8-12)16-3/h5-8,13-14H,4,9-10H2,1-3H3
InChIKeyFMTRCZDOIOAIJD-UHFFFAOYSA-N
XLogP1.70
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-methoxy-2-pyridin-3-yloxypropan-1-amine
CID 103228026
2-(4-chloro-3-methylphenoxy)-N-ethyl-3-methoxypropan-1-amine
CID 103228050
2-(4-bromo-3-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine
CID 103228797
2-(3,5-dimethoxyphenoxy)-N-ethylbutan-1-amine
CID 62449737
N-ethyl-2-(3-methylphenoxy)butan-1-amine
CID 54798641
N-ethyl-2-(3-fluorophenoxy)butan-1-amine
CID 62459043
N-ethyl-2-[(3-methoxyphenyl)methoxy]butan-1-amine
CID 55072812
2-(3-chlorophenoxy)-3-methoxy-N-methylpropan-1-amine
CID 103228336
N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177837
N-ethyl-2-(3-methoxyphenyl)-2-propoxyethanamine
CID 55036120
2-(3-bromophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103228325
N-ethyl-2-(3-methylsulfonylphenoxy)butan-1-amine
CID 62486290

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-2-(3-methoxyphenoxy)propan-1-amine?
The IUPAC name of N-ethyl-3-methoxy-2-(3-methoxyphenoxy)propan-1-amine (CID 103228176) is N-ethyl-3-methoxy-2-(3-methoxyphenoxy)propan-1-amine.
What is the SMILES notation for N-ethyl-3-methoxy-2-(3-methoxyphenoxy)propan-1-amine?
The canonical SMILES for N-ethyl-3-methoxy-2-(3-methoxyphenoxy)propan-1-amine is CCNCC(COC)Oc1cccc(OC)c1.
What is the InChIKey of N-ethyl-3-methoxy-2-(3-methoxyphenoxy)propan-1-amine?
The InChIKey is FMTRCZDOIOAIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-14-9-13(10-15-2)17-12-7-5-6-11(8-12)16-3/h5-8,13-14H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-3-methoxy-2-(3-methoxyphenoxy)propan-1-amine?
N-ethyl-3-methoxy-2-(3-methoxyphenoxy)propan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-2-(3-methoxyphenoxy)propan-1-amine is sourced from PubChem (CID 103228176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).