3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine

C14H23NO2 — CID 43196156

IUPAC3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
SMILESCCOCCCNC(C)c1cccc(OC)c1
InChIInChI=1S/C14H23NO2/c1-4-17-10-6-9-15-12(2)13-7-5-8-14(11-13)16-3/h5,7-8,11-12,15H,4,6,9-10H2,1-3H3
InChIKeyNAXZQWQGQCJIGA-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.77
Rot. Bonds8

About 3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine

3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 43196156) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
PubChem CID43196156
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
SMILESCCOCCCNC(C)c1cccc(OC)c1
InChIInChI=1S/C14H23NO2/c1-4-17-10-6-9-15-12(2)13-7-5-8-14(11-13)16-3/h5,7-8,11-12,15H,4,6,9-10H2,1-3H3
InChIKeyNAXZQWQGQCJIGA-UHFFFAOYSA-N
XLogP2.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360459
N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine
CID 30052666
N-[1-[3-(3-ethoxypropoxy)phenyl]ethyl]propan-1-amine
CID 65176727
(1S)-N-[2-(4-methoxyphenoxy)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 95972955
3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43102546
4-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butanenitrile
CID 81373125
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine
CID 43196211
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 18357750
1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590715
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893847
4-[1-(3-methoxyphenyl)ethylamino]butanoic acid
CID 54920471

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine (CID 43196156) is 3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine is CCOCCCNC(C)c1cccc(OC)c1.
What is the InChIKey of 3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is NAXZQWQGQCJIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-17-10-6-9-15-12(2)13-7-5-8-14(11-13)16-3/h5,7-8,11-12,15H,4,6,9-10H2,1-3H3.
What are the key properties of 3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine?
3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43196156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).