2-[1-(aminomethyl)cyclopropyl]-4-ethyl-6-methoxyphenol

C13H19NO2 — CID 117316384

IUPAC2-[1-(aminomethyl)cyclopropyl]-4-ethyl-6-methoxyphenol
SMILESCCc1cc(OC)c(O)c(C2(CN)CC2)c1
InChIInChI=1S/C13H19NO2/c1-3-9-6-10(13(8-14)4-5-13)12(15)11(7-9)16-2/h6-7,15H,3-5,8,14H2,1-2H3
InChIKeyVJXWLUUIVDOAND-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.95
Rot. Bonds4

About 2-[1-(aminomethyl)cyclopropyl]-4-ethyl-6-methoxyphenol

2-[1-(aminomethyl)cyclopropyl]-4-ethyl-6-methoxyphenol (PubChem CID 117316384) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopropyl]-4-ethyl-6-methoxyphenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopropyl]-4-ethyl-6-methoxyphenol
PubChem CID117316384
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[1-(aminomethyl)cyclopropyl]-4-ethyl-6-methoxyphenol
SMILESCCc1cc(OC)c(O)c(C2(CN)CC2)c1
InChIInChI=1S/C13H19NO2/c1-3-9-6-10(13(8-14)4-5-13)12(15)11(7-9)16-2/h6-7,15H,3-5,8,14H2,1-2H3
InChIKeyVJXWLUUIVDOAND-UHFFFAOYSA-N
XLogP1.95
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[1-(aminomethyl)cyclopentyl]-4-hydroxy-5-methoxybenzoate
CID 117447945
2-[1-(aminomethyl)cyclohexyl]-6-methoxy-4-propan-2-ylphenol
CID 117444900
4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol
CID 117343193
[1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine
CID 117351120
2-[1-(aminomethyl)cyclopropyl]-3-bromo-4-ethyl-6-methoxyphenol
CID 117483377
2-[1-(aminomethyl)cyclopropyl]-3-chloro-4-ethyl-6-methoxyphenol
CID 117392546
2-[1-(aminomethyl)cyclopropyl]-4-bromo-5-methoxyphenol
CID 117432605
6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol
CID 84792634
2-[1-(5-ethyl-2,3-dimethoxyphenyl)cyclopropyl]acetic acid
CID 117415105
[1-(5-ethyl-2-methylphenyl)cyclopropyl]methanamine
CID 117281665
[1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine
CID 117381664
2-[(E)-3-aminoprop-1-enyl]-4-ethyl-6-methoxyphenol
CID 117295929

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopropyl]-4-ethyl-6-methoxyphenol?
The IUPAC name of 2-[1-(aminomethyl)cyclopropyl]-4-ethyl-6-methoxyphenol (CID 117316384) is 2-[1-(aminomethyl)cyclopropyl]-4-ethyl-6-methoxyphenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopropyl]-4-ethyl-6-methoxyphenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclopropyl]-4-ethyl-6-methoxyphenol is CCc1cc(OC)c(O)c(C2(CN)CC2)c1.
What is the InChIKey of 2-[1-(aminomethyl)cyclopropyl]-4-ethyl-6-methoxyphenol?
The InChIKey is VJXWLUUIVDOAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-9-6-10(13(8-14)4-5-13)12(15)11(7-9)16-2/h6-7,15H,3-5,8,14H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclopropyl]-4-ethyl-6-methoxyphenol?
2-[1-(aminomethyl)cyclopropyl]-4-ethyl-6-methoxyphenol has a molecular weight of 221.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopropyl]-4-ethyl-6-methoxyphenol is sourced from PubChem (CID 117316384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).