[1-(aminomethyl)-2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methanol

C14H21NO2 — CID 55148646

IUPAC[1-(aminomethyl)-2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methanol
SMILESCCC1(c2ccc(OC)cc2)CC1(CN)CO
InChIInChI=1S/C14H21NO2/c1-3-14(8-13(14,9-15)10-16)11-4-6-12(17-2)7-5-11/h4-7,16H,3,8-10,15H2,1-2H3
InChIKeyOWSGUVOKJQKBAH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.68
Rot. Bonds5

About [1-(aminomethyl)-2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methanol

[1-(aminomethyl)-2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methanol (PubChem CID 55148646) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-(aminomethyl)-2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methanol
PubChem CID55148646
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[1-(aminomethyl)-2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methanol
SMILESCCC1(c2ccc(OC)cc2)CC1(CN)CO
InChIInChI=1S/C14H21NO2/c1-3-14(8-13(14,9-15)10-16)11-4-6-12(17-2)7-5-11/h4-7,16H,3,8-10,15H2,1-2H3
InChIKeyOWSGUVOKJQKBAH-UHFFFAOYSA-N
XLogP1.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methanol?
The IUPAC name of [1-(aminomethyl)-2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methanol (CID 55148646) is [1-(aminomethyl)-2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methanol.
What is the SMILES notation for [1-(aminomethyl)-2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methanol?
The canonical SMILES for [1-(aminomethyl)-2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methanol is CCC1(c2ccc(OC)cc2)CC1(CN)CO.
What is the InChIKey of [1-(aminomethyl)-2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methanol?
The InChIKey is OWSGUVOKJQKBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-14(8-13(14,9-15)10-16)11-4-6-12(17-2)7-5-11/h4-7,16H,3,8-10,15H2,1-2H3.
What are the key properties of [1-(aminomethyl)-2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methanol?
[1-(aminomethyl)-2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methanol is sourced from PubChem (CID 55148646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).