2-[1-(aminomethyl)cyclopropyl]-3-chloro-4-ethyl-6-methoxyphenol

C13H18ClNO2 — CID 117392546

IUPAC2-[1-(aminomethyl)cyclopropyl]-3-chloro-4-ethyl-6-methoxyphenol
SMILESCCc1cc(OC)c(O)c(C2(CN)CC2)c1Cl
InChIInChI=1S/C13H18ClNO2/c1-3-8-6-9(17-2)12(16)10(11(8)14)13(7-15)4-5-13/h6,16H,3-5,7,15H2,1-2H3
InChIKeyBWGQGBGXNJFLIS-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.61
Rot. Bonds4

About 2-[1-(aminomethyl)cyclopropyl]-3-chloro-4-ethyl-6-methoxyphenol

2-[1-(aminomethyl)cyclopropyl]-3-chloro-4-ethyl-6-methoxyphenol (PubChem CID 117392546) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopropyl]-3-chloro-4-ethyl-6-methoxyphenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopropyl]-3-chloro-4-ethyl-6-methoxyphenol
PubChem CID117392546
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-[1-(aminomethyl)cyclopropyl]-3-chloro-4-ethyl-6-methoxyphenol
SMILESCCc1cc(OC)c(O)c(C2(CN)CC2)c1Cl
InChIInChI=1S/C13H18ClNO2/c1-3-8-6-9(17-2)12(16)10(11(8)14)13(7-15)4-5-13/h6,16H,3-5,7,15H2,1-2H3
InChIKeyBWGQGBGXNJFLIS-UHFFFAOYSA-N
XLogP2.61
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclopropyl]-3-bromo-4-ethyl-6-methoxyphenol
CID 117483377
2-(1-aminocyclobutyl)-3-chloro-4-ethyl-6-methoxyphenol
CID 117392420
2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol
CID 117427824
2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol
CID 117464477
1-(2-chloro-3-ethyl-6-hydroxy-5-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117458250
2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol
CID 117437146
2-[1-(aminomethyl)cyclopropyl]-4-ethyl-6-methoxyphenol
CID 117316384
5-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxyphenol
CID 84791834
2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol
CID 117316580
3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol
CID 117363864
[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine
CID 116963562
4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol
CID 84801297

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopropyl]-3-chloro-4-ethyl-6-methoxyphenol?
The IUPAC name of 2-[1-(aminomethyl)cyclopropyl]-3-chloro-4-ethyl-6-methoxyphenol (CID 117392546) is 2-[1-(aminomethyl)cyclopropyl]-3-chloro-4-ethyl-6-methoxyphenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopropyl]-3-chloro-4-ethyl-6-methoxyphenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclopropyl]-3-chloro-4-ethyl-6-methoxyphenol is CCc1cc(OC)c(O)c(C2(CN)CC2)c1Cl.
What is the InChIKey of 2-[1-(aminomethyl)cyclopropyl]-3-chloro-4-ethyl-6-methoxyphenol?
The InChIKey is BWGQGBGXNJFLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-3-8-6-9(17-2)12(16)10(11(8)14)13(7-15)4-5-13/h6,16H,3-5,7,15H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclopropyl]-3-chloro-4-ethyl-6-methoxyphenol?
2-[1-(aminomethyl)cyclopropyl]-3-chloro-4-ethyl-6-methoxyphenol has a molecular weight of 255.74 g/mol, XLogP of 2.61, 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]-3-chloro-4-ethyl-6-methoxyphenol is sourced from PubChem (CID 117392546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).