1-cyclopropyl-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine

C15H23NO2 — CID 43224478

IUPAC1-cyclopropyl-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine
SMILESCCOc1cccc(CNC(C)C2CC2)c1OC
InChIInChI=1S/C15H23NO2/c1-4-18-14-7-5-6-13(15(14)17-3)10-16-11(2)12-8-9-12/h5-7,11-12,16H,4,8-10H2,1-3H3
InChIKeyVTXDSHYJVGHLFN-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.98
Rot. Bonds7

About 1-cyclopropyl-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine

1-cyclopropyl-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine (PubChem CID 43224478) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine
PubChem CID43224478
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-cyclopropyl-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine
SMILESCCOc1cccc(CNC(C)C2CC2)c1OC
InChIInChI=1S/C15H23NO2/c1-4-18-14-7-5-6-13(15(14)17-3)10-16-11(2)12-8-9-12/h5-7,11-12,16H,4,8-10H2,1-3H3
InChIKeyVTXDSHYJVGHLFN-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-cycloheptyl-N-[(2,3-dimethoxyphenyl)methyl]ethanamine
CID 81391569
1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 43400170
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655289
N-[(3-ethoxy-2-methoxyphenyl)methyl]thiolan-3-amine
CID 103701615
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
CID 55071667
4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 43220624
(1S)-N-[(3-bromo-2-methoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 97102481
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine
CID 113238202
2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-6-methoxyphenol
CID 81389459
N-[(3-ethoxy-2-methoxyphenyl)methyl]oxolan-3-amine
CID 80713225
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43434085
1-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 62407334

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine (CID 43224478) is 1-cyclopropyl-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine is CCOc1cccc(CNC(C)C2CC2)c1OC.
What is the InChIKey of 1-cyclopropyl-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine?
The InChIKey is VTXDSHYJVGHLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-18-14-7-5-6-13(15(14)17-3)10-16-11(2)12-8-9-12/h5-7,11-12,16H,4,8-10H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine?
1-cyclopropyl-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43224478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).