1-[1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropyl]ethanamine

C15H23NO2 — CID 117377084

IUPAC1-[1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropyl]ethanamine
SMILESCCc1c(OC)ccc(C2(C(C)N)CC2)c1OC
InChIInChI=1S/C15H23NO2/c1-5-11-13(17-3)7-6-12(14(11)18-4)15(8-9-15)10(2)16/h6-7,10H,5,8-9,16H2,1-4H3
InChIKeyKZNMFHCJFDLDQS-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.64
Rot. Bonds5

About 1-[1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropyl]ethanamine

1-[1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropyl]ethanamine (PubChem CID 117377084) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropyl]ethanamine
PubChem CID117377084
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropyl]ethanamine
SMILESCCc1c(OC)ccc(C2(C(C)N)CC2)c1OC
InChIInChI=1S/C15H23NO2/c1-5-11-13(17-3)7-6-12(14(11)18-4)15(8-9-15)10(2)16/h6-7,10H,5,8-9,16H2,1-4H3
InChIKeyKZNMFHCJFDLDQS-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-(3-ethyl-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84787995
1-[1-(2-ethyl-3,5-dimethoxyphenyl)cyclopropyl]ethanamine
CID 117377087
[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine
CID 117444901
1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117457314
1-[1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]ethanamine
CID 117366115
1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117465009
6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol
CID 117356185
1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine
CID 117347796
1-[1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117441175
1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117499657
1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine
CID 117422055
3-[1-(1-aminoethyl)cyclopropyl]-4,5-dimethoxybenzaldehyde
CID 117376478

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropyl]ethanamine (CID 117377084) is 1-[1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropyl]ethanamine is CCc1c(OC)ccc(C2(C(C)N)CC2)c1OC.
What is the InChIKey of 1-[1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropyl]ethanamine?
The InChIKey is KZNMFHCJFDLDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-11-13(17-3)7-6-12(14(11)18-4)15(8-9-15)10(2)16/h6-7,10H,5,8-9,16H2,1-4H3.
What are the key properties of 1-[1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropyl]ethanamine?
1-[1-(3-ethyl-2,4-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-(3-ethyl-2,4-dimethoxyphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117377084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).