1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropan-1-amine

C13H19NO2 — CID 84787995

IUPAC1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropan-1-amine
SMILESCCc1c(OC)ccc(C2(N)CC2)c1OC
InChIInChI=1S/C13H19NO2/c1-4-9-11(15-2)6-5-10(12(9)16-3)13(14)7-8-13/h5-6H,4,7-8,14H2,1-3H3
InChIKeySDAKMEPGAGAEBM-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.21
Rot. Bonds4

About 1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropan-1-amine

1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropan-1-amine (PubChem CID 84787995) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropan-1-amine
PubChem CID84787995
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropan-1-amine
SMILESCCc1c(OC)ccc(C2(N)CC2)c1OC
InChIInChI=1S/C13H19NO2/c1-4-9-11(15-2)6-5-10(12(9)16-3)13(14)7-8-13/h5-6H,4,7-8,14H2,1-3H3
InChIKeySDAKMEPGAGAEBM-UHFFFAOYSA-N
XLogP2.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117448254
1-[1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropyl]ethanamine
CID 117377084
[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine
CID 117444901
1-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84809618
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460
6-(1-aminocyclopropyl)-2,3-dimethoxyphenol
CID 117298428
1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine
CID 117316614
1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117342967
1-(3,4-dimethoxy-2-methylphenyl)cyclohexan-1-amine
CID 117377333
1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117421967
1-(7-methoxy-2,3-dihydro-1H-inden-4-yl)cyclopropan-1-amine
CID 84777430
1-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117421966

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropan-1-amine (CID 84787995) is 1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropan-1-amine is CCc1c(OC)ccc(C2(N)CC2)c1OC.
What is the InChIKey of 1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropan-1-amine?
The InChIKey is SDAKMEPGAGAEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-9-11(15-2)6-5-10(12(9)16-3)13(14)7-8-13/h5-6H,4,7-8,14H2,1-3H3.
What are the key properties of 1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropan-1-amine?
1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84787995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).