5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol

C14H21NO2 — CID 117343267

IUPAC5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
SMILESCOc1c(O)cc(C2(C(C)N)CC2)c(C)c1C
InChIInChI=1S/C14H21NO2/c1-8-9(2)13(17-4)12(16)7-11(8)14(5-6-14)10(3)15/h7,10,16H,5-6,15H2,1-4H3
InChIKeyNACCLEMQBAGXAP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.40
Rot. Bonds3

About 5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol

5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol (PubChem CID 117343267) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol.

Molecular Properties

Compound Name5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
PubChem CID117343267
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
SMILESCOc1c(O)cc(C2(C(C)N)CC2)c(C)c1C
InChIInChI=1S/C14H21NO2/c1-8-9(2)13(17-4)12(16)7-11(8)14(5-6-14)10(3)15/h7,10,16H,5-6,15H2,1-4H3
InChIKeyNACCLEMQBAGXAP-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

Analyze 5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
CID 117343281
6-[1-(1-aminoethyl)cyclopropyl]-4-chloro-2-methoxy-3-methylphenol
CID 117392662
5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol
CID 117323547
2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol
CID 117296056
1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117499657
6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol
CID 117356185
5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol
CID 117298840
3-[1-(1-aminoethyl)cyclopropyl]-4-chloro-5-fluoro-2-methoxyphenol
CID 117403514
1-[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117364491
1-[1-(3-tert-butyl-2-methoxy-5-methylphenyl)cyclopropyl]ethanamine
CID 117408617
1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117457314
1-[1-(5-chloro-2,3-difluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117409102

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol?
The IUPAC name of 5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol (CID 117343267) is 5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol.
What is the SMILES notation for 5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol?
The canonical SMILES for 5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol is COc1c(O)cc(C2(C(C)N)CC2)c(C)c1C.
What is the InChIKey of 5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol?
The InChIKey is NACCLEMQBAGXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-8-9(2)13(17-4)12(16)7-11(8)14(5-6-14)10(3)15/h7,10,16H,5-6,15H2,1-4H3.
What are the key properties of 5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol?
5-[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 5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol is sourced from PubChem (CID 117343267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).