1-[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopropyl]ethanamine

C14H21NO2 — CID 117343261

IUPAC1-[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopropyl]ethanamine
SMILESCOCc1ccc(C2(C(C)N)CC2)cc1OC
InChIInChI=1S/C14H21NO2/c1-10(15)14(6-7-14)12-5-4-11(9-16-2)13(8-12)17-3/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeySYRQZTGBNNJCFR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.22
Rot. Bonds5

About 1-[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopropyl]ethanamine

1-[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopropyl]ethanamine (PubChem CID 117343261) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopropyl]ethanamine
PubChem CID117343261
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopropyl]ethanamine
SMILESCOCc1ccc(C2(C(C)N)CC2)cc1OC
InChIInChI=1S/C14H21NO2/c1-10(15)14(6-7-14)12-5-4-11(9-16-2)13(8-12)17-3/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeySYRQZTGBNNJCFR-UHFFFAOYSA-N
XLogP2.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117339161
[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117377424
1-[1-[3-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117293808
1-[1-[3-(difluoromethyl)-4-methoxyphenyl]cyclopropyl]ethanamine
CID 117355047
1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-amine
CID 117299172
5-[1-(1-aminoethyl)cyclopropyl]-2-(hydroxymethyl)phenol
CID 117296045
1-[1-(3-cyclohexyl-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117436696
1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine
CID 117489876
4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol
CID 117323546
4-(1-butan-2-ylcyclopropyl)-2-methoxy-1-methylbenzene
CID 171099345
3-[3-methoxy-4-(methoxymethyl)phenyl]butan-1-amine
CID 117320551
1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine
CID 117459786

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopropyl]ethanamine (CID 117343261) is 1-[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopropyl]ethanamine is COCc1ccc(C2(C(C)N)CC2)cc1OC.
What is the InChIKey of 1-[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopropyl]ethanamine?
The InChIKey is SYRQZTGBNNJCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(15)14(6-7-14)12-5-4-11(9-16-2)13(8-12)17-3/h4-5,8,10H,6-7,9,15H2,1-3H3.
What are the key properties of 1-[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopropyl]ethanamine?
1-[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopropyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117343261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).