6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol

C14H21NO2 — CID 117343281

IUPAC6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
SMILESCOc1c(C)c(C)cc(C2(C(C)N)CC2)c1O
InChIInChI=1S/C14H21NO2/c1-8-7-11(14(5-6-14)10(3)15)12(16)13(17-4)9(8)2/h7,10,16H,5-6,15H2,1-4H3
InChIKeyTZSHMNDENPWLKX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.40
Rot. Bonds3

About 6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol

6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol (PubChem CID 117343281) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol.

Molecular Properties

Compound Name6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
PubChem CID117343281
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
SMILESCOc1c(C)c(C)cc(C2(C(C)N)CC2)c1O
InChIInChI=1S/C14H21NO2/c1-8-7-11(14(5-6-14)10(3)15)12(16)13(17-4)9(8)2/h7,10,16H,5-6,15H2,1-4H3
InChIKeyTZSHMNDENPWLKX-UHFFFAOYSA-N
XLogP2.40
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-(1-aminoethyl)cyclopropyl]-4-chloro-2-methoxy-3-methylphenol
CID 117392662
6-[1-(1-aminoethyl)cyclopropyl]-2-chloro-3,4-dimethylphenol
CID 117352069
5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
CID 117343267
6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol
CID 117356185
3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol
CID 117296160
1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117499657
1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117457314
1-[1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]ethanamine
CID 117366115
5-[1-(1-aminoethyl)cyclopropyl]-2,3-dimethylphenol
CID 117293797
1-[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117364491
2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol
CID 117296056
1-[1-(3-tert-butyl-2-methoxy-5-methylphenyl)cyclopropyl]ethanamine
CID 117408617

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol?
The IUPAC name of 6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol (CID 117343281) is 6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol.
What is the SMILES notation for 6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol?
The canonical SMILES for 6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol is COc1c(C)c(C)cc(C2(C(C)N)CC2)c1O.
What is the InChIKey of 6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol?
The InChIKey is TZSHMNDENPWLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-8-7-11(14(5-6-14)10(3)15)12(16)13(17-4)9(8)2/h7,10,16H,5-6,15H2,1-4H3.
What are the key properties of 6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol?
6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol has a molecular weight of 235.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol is sourced from PubChem (CID 117343281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).