1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine

C15H23NO3 — CID 43400170

IUPAC1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNC(C)C2CC2)c(OC)c1OC
InChIInChI=1S/C15H23NO3/c1-10(11-5-6-11)16-9-12-7-8-13(17-2)15(19-4)14(12)18-3/h7-8,10-11,16H,5-6,9H2,1-4H3
InChIKeyJUFFSSKFYMUONO-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.60
Rot. Bonds7

About 1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine

1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine (PubChem CID 43400170) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
PubChem CID43400170
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNC(C)C2CC2)c(OC)c1OC
InChIInChI=1S/C15H23NO3/c1-10(11-5-6-11)16-9-12-7-8-13(17-2)15(19-4)14(12)18-3/h7-8,10-11,16H,5-6,9H2,1-4H3
InChIKeyJUFFSSKFYMUONO-UHFFFAOYSA-N
XLogP2.60
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylethanamine
CID 81394276
(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclohexylethanamine
CID 81388553
(1S)-1-cycloheptyl-N-[(2,3-dimethoxyphenyl)methyl]ethanamine
CID 81391569
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655289
1-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43400133
1-cyclopropyl-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine
CID 43224478
3-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine
CID 61463338
(2S)-2-N-[(2,3,4-trimethoxyphenyl)methyl]propane-1,2-diamine
CID 104867748
3-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol
CID 79254161
3-ethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine
CID 63842268
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769004
(1S)-N-[(3-bromo-2-methoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 97102481

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine (CID 43400170) is 1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine is COc1ccc(CNC(C)C2CC2)c(OC)c1OC.
What is the InChIKey of 1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
The InChIKey is JUFFSSKFYMUONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(11-5-6-11)16-9-12-7-8-13(17-2)15(19-4)14(12)18-3/h7-8,10-11,16H,5-6,9H2,1-4H3.
What are the key properties of 1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine?
1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine has a molecular weight of 265.35 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43400170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).