N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine

C12H19NO2 — CID 4717500

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
SMILESCCNCc1ccc(OC)c(OCC)c1
InChIInChI=1S/C12H19NO2/c1-4-13-9-10-6-7-11(14-3)12(8-10)15-5-2/h6-8,13H,4-5,9H2,1-3H3
InChIKeyHLTCLMHTGLUYEP-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.20
Rot. Bonds6

About N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine

N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine (PubChem CID 4717500) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
PubChem CID4717500
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
SMILESCCNCc1ccc(OC)c(OCC)c1
InChIInChI=1S/C12H19NO2/c1-4-13-9-10-6-7-11(14-3)12(8-10)15-5-2/h6-8,13H,4-5,9H2,1-3H3
InChIKeyHLTCLMHTGLUYEP-UHFFFAOYSA-N
XLogP2.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
(2S)-1-[(3-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 51432607
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598
N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine
CID 4717536
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 22226486
6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-1-ol
CID 103924096
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206743
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
3-[(3-ethoxy-4-methoxyphenyl)methylamino]propanoic acid;hydrochloride
CID 163331515
N,N-diethyl-2-[5-(ethylaminomethyl)-2-methoxyphenoxy]acetamide
CID 43278782
2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate
CID 83211785
methyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate
CID 63950104

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine (CID 4717500) is N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine is CCNCc1ccc(OC)c(OCC)c1.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine?
The InChIKey is HLTCLMHTGLUYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-13-9-10-6-7-11(14-3)12(8-10)15-5-2/h6-8,13H,4-5,9H2,1-3H3.
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine?
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine has a molecular weight of 209.29 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 4717500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).