N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine

C15H25NO3 — CID 43196211

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-5-19-10-6-9-16-12(2)13-7-8-14(17-3)15(11-13)18-4/h7-8,11-12,16H,5-6,9-10H2,1-4H3
InChIKeyQQTWGMNETMYXHS-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.78
Rot. Bonds9

About N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine

N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine (PubChem CID 43196211) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine
PubChem CID43196211
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-5-19-10-6-9-16-12(2)13-7-8-14(17-3)15(11-13)18-4/h7-8,11-12,16H,5-6,9-10H2,1-4H3
InChIKeyQQTWGMNETMYXHS-UHFFFAOYSA-N
XLogP2.78
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol
CID 43196184
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine
CID 43205840
3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
CID 43514919
2-(3,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)acetonitrile
CID 84817434
N'-[1-(3,4-dimethoxyphenyl)ethyl]propane-1,3-diamine
CID 60890070
4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol
CID 43590855
3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43196156
N-(2-ethoxyethyl)-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 82994797
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 105141191
N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine
CID 43279483
N-[2-(2,2-difluoroethoxy)ethyl]-1-(3,4-dimethoxyphenyl)ethanamine
CID 102977990

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine (CID 43196211) is N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine is CCOCCCNC(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine?
The InChIKey is QQTWGMNETMYXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-19-10-6-9-16-12(2)13-7-8-14(17-3)15(11-13)18-4/h7-8,11-12,16H,5-6,9-10H2,1-4H3.
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine?
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine is sourced from PubChem (CID 43196211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).