1-cyclopropyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-2-amine

C16H25NO2 — CID 63988275

IUPAC1-cyclopropyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-2-amine
SMILESCCOc1cc(CNC(C)CC2CC2)ccc1OC
InChIInChI=1S/C16H25NO2/c1-4-19-16-10-14(7-8-15(16)18-3)11-17-12(2)9-13-5-6-13/h7-8,10,12-13,17H,4-6,9,11H2,1-3H3
InChIKeyVWOOJOSZBZXJPY-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.37
Rot. Bonds8

About 1-cyclopropyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-2-amine

1-cyclopropyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-2-amine (PubChem CID 63988275) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-2-amine
PubChem CID63988275
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-cyclopropyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-2-amine
SMILESCCOc1cc(CNC(C)CC2CC2)ccc1OC
InChIInChI=1S/C16H25NO2/c1-4-19-16-10-14(7-8-15(16)18-3)11-17-12(2)9-13-5-6-13/h7-8,10,12-13,17H,4-6,9,11H2,1-3H3
InChIKeyVWOOJOSZBZXJPY-UHFFFAOYSA-N
XLogP3.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,4,4-trifluorobutan-2-amine
CID 103783679
N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-methylsulfinylbutan-2-amine
CID 115697731
N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine
CID 4717032
1-cyclobutyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-amine
CID 115704098
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598
2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 60733205
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62633318
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 22226486
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine
CID 61463346
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine
CID 43278205
N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43278204

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-2-amine?
The IUPAC name of 1-cyclopropyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-2-amine (CID 63988275) is 1-cyclopropyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-2-amine is CCOc1cc(CNC(C)CC2CC2)ccc1OC.
What is the InChIKey of 1-cyclopropyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-2-amine?
The InChIKey is VWOOJOSZBZXJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-19-16-10-14(7-8-15(16)18-3)11-17-12(2)9-13-5-6-13/h7-8,10,12-13,17H,4-6,9,11H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-2-amine?
1-cyclopropyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 3.37, 8 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-4-methoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 63988275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).