1-[1-(2-ethyl-3,5-dimethoxyphenyl)cyclopropyl]ethanamine

C15H23NO2 — CID 117377087

IUPAC1-[1-(2-ethyl-3,5-dimethoxyphenyl)cyclopropyl]ethanamine
SMILESCCc1c(OC)cc(OC)cc1C1(C(C)N)CC1
InChIInChI=1S/C15H23NO2/c1-5-12-13(15(6-7-15)10(2)16)8-11(17-3)9-14(12)18-4/h8-10H,5-7,16H2,1-4H3
InChIKeyIUNXUORKLCXMTC-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.64
Rot. Bonds5

About 1-[1-(2-ethyl-3,5-dimethoxyphenyl)cyclopropyl]ethanamine

1-[1-(2-ethyl-3,5-dimethoxyphenyl)cyclopropyl]ethanamine (PubChem CID 117377087) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[1-(2-ethyl-3,5-dimethoxyphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-ethyl-3,5-dimethoxyphenyl)cyclopropyl]ethanamine
PubChem CID117377087
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[1-(2-ethyl-3,5-dimethoxyphenyl)cyclopropyl]ethanamine
SMILESCCc1c(OC)cc(OC)cc1C1(C(C)N)CC1
InChIInChI=1S/C15H23NO2/c1-5-12-13(15(6-7-15)10(2)16)8-11(17-3)9-14(12)18-4/h8-10H,5-7,16H2,1-4H3
InChIKeyIUNXUORKLCXMTC-UHFFFAOYSA-N
XLogP2.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropyl]ethanamine
CID 117377084
1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117413676
2-[1-(1-aminoethyl)cyclopropyl]-4-methoxy-N,N-dimethylaniline
CID 117341054
1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117346889
2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol
CID 117296056
1-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]ethanamine
CID 117459525
1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117361282
1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117465007
1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117497496
1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine
CID 117347796
1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117382007
1-[1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117441175

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethyl-3,5-dimethoxyphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(2-ethyl-3,5-dimethoxyphenyl)cyclopropyl]ethanamine (CID 117377087) is 1-[1-(2-ethyl-3,5-dimethoxyphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(2-ethyl-3,5-dimethoxyphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(2-ethyl-3,5-dimethoxyphenyl)cyclopropyl]ethanamine is CCc1c(OC)cc(OC)cc1C1(C(C)N)CC1.
What is the InChIKey of 1-[1-(2-ethyl-3,5-dimethoxyphenyl)cyclopropyl]ethanamine?
The InChIKey is IUNXUORKLCXMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-12-13(15(6-7-15)10(2)16)8-11(17-3)9-14(12)18-4/h8-10H,5-7,16H2,1-4H3.
What are the key properties of 1-[1-(2-ethyl-3,5-dimethoxyphenyl)cyclopropyl]ethanamine?
1-[1-(2-ethyl-3,5-dimethoxyphenyl)cyclopropyl]ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethyl-3,5-dimethoxyphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117377087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).