1-(3,4-dimethoxyphenyl)-2-ethylcyclopropan-1-amine

C13H19NO2 — CID 79333872

IUPAC1-(3,4-dimethoxyphenyl)-2-ethylcyclopropan-1-amine
SMILESCCC1CC1(N)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H19NO2/c1-4-9-8-13(9,14)10-5-6-11(15-2)12(7-10)16-3/h5-7,9H,4,8,14H2,1-3H3
InChIKeyQWSFTZHBKOFEBH-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.29
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-2-ethylcyclopropan-1-amine

1-(3,4-dimethoxyphenyl)-2-ethylcyclopropan-1-amine (PubChem CID 79333872) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-ethylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-ethylcyclopropan-1-amine
PubChem CID79333872
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(3,4-dimethoxyphenyl)-2-ethylcyclopropan-1-amine
SMILESCCC1CC1(N)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H19NO2/c1-4-9-8-13(9,14)10-5-6-11(15-2)12(7-10)16-3/h5-7,9H,4,8,14H2,1-3H3
InChIKeyQWSFTZHBKOFEBH-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-2-propylcyclopropan-1-amine
CID 106951203
2-(3,4-dimethoxyphenyl)-2-methylcyclopropan-1-amine
CID 62387494
2-ethyl-1-(2-methoxyphenyl)cyclopropan-1-amine
CID 79332118
1-(3-bromo-4-methylphenyl)-2-ethylcyclopropan-1-amine
CID 107915510
1-(4-chloro-2-methoxyphenyl)-2-ethylcyclopropan-1-amine
CID 106819818
2-ethyl-1-(6-methoxypyridazin-3-yl)cyclopropan-1-amine
CID 103375157
1-(3,4-dimethoxyphenyl)-3-ethylcyclopentan-1-ol
CID 64513841
2-ethyl-1-(3-methoxy-4-methylphenyl)cyclopropan-1-ol
CID 79333625
4-(1-tert-butylcyclopropyl)-1,2-dimethoxybenzene
CID 58988277
1-(3,4-dimethoxyphenyl)-3-methoxycyclobutan-1-ol
CID 106823852
(3aR,6aS)-3a-(3,4-dimethoxyphenyl)-4-ethyl-1-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-6-carbaldehyde
CID 171567537
1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756751

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-ethylcyclopropan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-ethylcyclopropan-1-amine (CID 79333872) is 1-(3,4-dimethoxyphenyl)-2-ethylcyclopropan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-ethylcyclopropan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-ethylcyclopropan-1-amine is CCC1CC1(N)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-ethylcyclopropan-1-amine?
The InChIKey is QWSFTZHBKOFEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-9-8-13(9,14)10-5-6-11(15-2)12(7-10)16-3/h5-7,9H,4,8,14H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-ethylcyclopropan-1-amine?
1-(3,4-dimethoxyphenyl)-2-ethylcyclopropan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-ethylcyclopropan-1-amine is sourced from PubChem (CID 79333872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).