2-[2-(1-aminocyclopropyl)ethyl]-4-ethyl-5-methoxyphenol

C14H21NO2 — CID 105496630

IUPAC2-[2-(1-aminocyclopropyl)ethyl]-4-ethyl-5-methoxyphenol
SMILESCCc1cc(CCC2(N)CC2)c(O)cc1OC
InChIInChI=1S/C14H21NO2/c1-3-10-8-11(4-5-14(15)6-7-14)12(16)9-13(10)17-2/h8-9,16H,3-7,15H2,1-2H3
InChIKeyVSFXXKONGKGLGP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.39
Rot. Bonds5

About 2-[2-(1-aminocyclopropyl)ethyl]-4-ethyl-5-methoxyphenol

2-[2-(1-aminocyclopropyl)ethyl]-4-ethyl-5-methoxyphenol (PubChem CID 105496630) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[2-(1-aminocyclopropyl)ethyl]-4-ethyl-5-methoxyphenol.

Molecular Properties

Compound Name2-[2-(1-aminocyclopropyl)ethyl]-4-ethyl-5-methoxyphenol
PubChem CID105496630
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[2-(1-aminocyclopropyl)ethyl]-4-ethyl-5-methoxyphenol
SMILESCCc1cc(CCC2(N)CC2)c(O)cc1OC
InChIInChI=1S/C14H21NO2/c1-3-10-8-11(4-5-14(15)6-7-14)12(16)9-13(10)17-2/h8-9,16H,3-7,15H2,1-2H3
InChIKeyVSFXXKONGKGLGP-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol
CID 105499062
1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117343094
1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105499389
1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine
CID 105480784
3-(5-ethyl-2-hydroxy-4-methoxyphenyl)propanenitrile
CID 84778473
1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105483503
2,5-diethyl-4-methoxyphenol
CID 162375149
6-[2-(1-aminocyclopropyl)ethyl]-2,3-dihydro-1H-inden-5-ol
CID 105471605
2,5-bis(2-aminoethyl)-4-methoxyphenol
CID 117274744
2-[2-(1-aminocyclopropyl)ethyl]-5-fluorophenol
CID 105448984
5-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-2-methylphenol
CID 105463039
2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-methylphenol
CID 105463029

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminocyclopropyl)ethyl]-4-ethyl-5-methoxyphenol?
The IUPAC name of 2-[2-(1-aminocyclopropyl)ethyl]-4-ethyl-5-methoxyphenol (CID 105496630) is 2-[2-(1-aminocyclopropyl)ethyl]-4-ethyl-5-methoxyphenol.
What is the SMILES notation for 2-[2-(1-aminocyclopropyl)ethyl]-4-ethyl-5-methoxyphenol?
The canonical SMILES for 2-[2-(1-aminocyclopropyl)ethyl]-4-ethyl-5-methoxyphenol is CCc1cc(CCC2(N)CC2)c(O)cc1OC.
What is the InChIKey of 2-[2-(1-aminocyclopropyl)ethyl]-4-ethyl-5-methoxyphenol?
The InChIKey is VSFXXKONGKGLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-10-8-11(4-5-14(15)6-7-14)12(16)9-13(10)17-2/h8-9,16H,3-7,15H2,1-2H3.
What are the key properties of 2-[2-(1-aminocyclopropyl)ethyl]-4-ethyl-5-methoxyphenol?
2-[2-(1-aminocyclopropyl)ethyl]-4-ethyl-5-methoxyphenol has a molecular weight of 235.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminocyclopropyl)ethyl]-4-ethyl-5-methoxyphenol is sourced from PubChem (CID 105496630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).