[1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine

C14H21NO3 — CID 117381664

IUPAC[1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine
SMILESCCOc1cc(C2(CN)CC2)c(OC)cc1OC
InChIInChI=1S/C14H21NO3/c1-4-18-13-7-10(14(9-15)5-6-14)11(16-2)8-12(13)17-3/h7-8H,4-6,9,15H2,1-3H3
InChIKeyRKGZZKAJJOECIW-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.09
Rot. Bonds6

About [1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine

[1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine (PubChem CID 117381664) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine
PubChem CID117381664
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name[1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine
SMILESCCOc1cc(C2(CN)CC2)c(OC)cc1OC
InChIInChI=1S/C14H21NO3/c1-4-18-13-7-10(14(9-15)5-6-14)11(16-2)8-12(13)17-3/h7-8H,4-6,9,15H2,1-3H3
InChIKeyRKGZZKAJJOECIW-UHFFFAOYSA-N
XLogP2.09
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-chloro-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine
CID 117392540
[1-(5-bromo-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine
CID 117483371
[1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine
CID 117413430
1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropan-1-ol
CID 117349200
[1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 116989217
[1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine
CID 117473584
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117444927
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413443
[1-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]cyclopropyl]methanamine
CID 117421898
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298887
[1-(2-ethoxy-4-methoxyphenyl)cyclobutyl]methanamine
CID 117343197

Frequently Asked Questions

What is the IUPAC name of [1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine (CID 117381664) is [1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine is CCOc1cc(C2(CN)CC2)c(OC)cc1OC.
What is the InChIKey of [1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine?
The InChIKey is RKGZZKAJJOECIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-18-13-7-10(14(9-15)5-6-14)11(16-2)8-12(13)17-3/h7-8H,4-6,9,15H2,1-3H3.
What are the key properties of [1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine?
[1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine has a molecular weight of 251.33 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117381664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).