[1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine

C13H19NO2 — CID 116989217

IUPAC[1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine
SMILESCCOc1ccc(C2(CN)CC2)cc1OC
InChIInChI=1S/C13H19NO2/c1-3-16-11-5-4-10(8-12(11)15-2)13(9-14)6-7-13/h4-5,8H,3,6-7,9,14H2,1-2H3
InChIKeyCSVPEHVLWYXZAR-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.08
Rot. Bonds5

About [1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine

[1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine (PubChem CID 116989217) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine
PubChem CID116989217
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine
SMILESCCOc1ccc(C2(CN)CC2)cc1OC
InChIInChI=1S/C13H19NO2/c1-3-16-11-5-4-10(8-12(11)15-2)13(9-14)6-7-13/h4-5,8H,3,6-7,9,14H2,1-2H3
InChIKeyCSVPEHVLWYXZAR-UHFFFAOYSA-N
XLogP2.08
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine
CID 117408013
[4-(3,4-dimethoxyphenyl)oxan-4-yl]methanamine;hydrochloride
CID 2852629
[1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine
CID 117381664
[1-(3-chloro-4-ethoxyphenyl)cyclopentyl]methanamine
CID 82499574
[1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine
CID 117320792
[1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine
CID 82290284
[1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine
CID 82499353
1-(4-ethoxy-3-methoxyphenyl)cyclopropane-1-carbonitrile
CID 116989214
[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117371885
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
1-(3,4-diethoxyphenyl)cyclopropan-1-amine
CID 116989285
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
CID 82499570

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine (CID 116989217) is [1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine is CCOc1ccc(C2(CN)CC2)cc1OC.
What is the InChIKey of [1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine?
The InChIKey is CSVPEHVLWYXZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-16-11-5-4-10(8-12(11)15-2)13(9-14)6-7-13/h4-5,8H,3,6-7,9,14H2,1-2H3.
What are the key properties of [1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine?
[1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine has a molecular weight of 221.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 116989217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).