2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol

C13H19NO3 — CID 105499062

IUPAC2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol
SMILESCOc1cc(O)c(CCC2(N)CC2)cc1OC
InChIInChI=1S/C13H19NO3/c1-16-11-7-9(3-4-13(14)5-6-13)10(15)8-12(11)17-2/h7-8,15H,3-6,14H2,1-2H3
InChIKeyVVBANNZZWBBLKX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.83
Rot. Bonds5

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

2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol (PubChem CID 105499062) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol.

Molecular Properties

Compound Name2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol
PubChem CID105499062
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol
SMILESCOc1cc(O)c(CCC2(N)CC2)cc1OC
InChIInChI=1S/C13H19NO3/c1-16-11-7-9(3-4-13(14)5-6-13)10(15)8-12(11)17-2/h7-8,15H,3-6,14H2,1-2H3
InChIKeyVVBANNZZWBBLKX-UHFFFAOYSA-N
XLogP1.83
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-aminocyclopropyl)ethyl]-4-ethyl-5-methoxyphenol
CID 105496630
1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine
CID 105480784
1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105499389
6-[2-(1-aminocyclopropyl)ethyl]-2,3-dihydro-1H-inden-5-ol
CID 105471605
1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105483503
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
1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine
CID 105423331
1-[2-(2,3-difluoro-5-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105484561
1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105460909

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol?
The IUPAC name of 2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol (CID 105499062) is 2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol.
What is the SMILES notation for 2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol?
The canonical SMILES for 2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol is COc1cc(O)c(CCC2(N)CC2)cc1OC.
What is the InChIKey of 2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol?
The InChIKey is VVBANNZZWBBLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-11-7-9(3-4-13(14)5-6-13)10(15)8-12(11)17-2/h7-8,15H,3-6,14H2,1-2H3.
What are the key properties of 2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol?
2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol has a molecular weight of 237.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol is sourced from PubChem (CID 105499062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).