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

C13H19NO — CID 117293797

IUPAC5-[1-(1-aminoethyl)cyclopropyl]-2,3-dimethylphenol
SMILESCc1cc(C2(C(C)N)CC2)cc(O)c1C
InChIInChI=1S/C13H19NO/c1-8-6-11(7-12(15)9(8)2)13(4-5-13)10(3)14/h6-7,10,15H,4-5,14H2,1-3H3
InChIKeyVCRMWVGOHNLVSH-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.39
Rot. Bonds2

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

5-[1-(1-aminoethyl)cyclopropyl]-2,3-dimethylphenol (PubChem CID 117293797) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-[1-(1-aminoethyl)cyclopropyl]-2,3-dimethylphenol.

Molecular Properties

Compound Name5-[1-(1-aminoethyl)cyclopropyl]-2,3-dimethylphenol
PubChem CID117293797
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5-[1-(1-aminoethyl)cyclopropyl]-2,3-dimethylphenol
SMILESCc1cc(C2(C(C)N)CC2)cc(O)c1C
InChIInChI=1S/C13H19NO/c1-8-6-11(7-12(15)9(8)2)13(4-5-13)10(3)14/h6-7,10,15H,4-5,14H2,1-3H3
InChIKeyVCRMWVGOHNLVSH-UHFFFAOYSA-N
XLogP2.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[1-(1-aminoethyl)cyclopropyl]-2,3-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

5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
CID 117301518
1-[1-(3,5-dimethylphenyl)cyclopropyl]ethanamine
CID 131471469
5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol
CID 117323547
2-[1-(1-aminoethyl)cyclopropyl]-3,4-dimethylphenol
CID 117293806
5-[1-(1-aminoethyl)cyclopropyl]-2-(hydroxymethyl)phenol
CID 117296045
6-[1-(1-aminoethyl)cyclopropyl]-2-chloro-3,4-dimethylphenol
CID 117352069
1-[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclopropyl]ethanamine
CID 117359794
1-[1-(3-methyl-4-methylsulfonylphenyl)cyclopropyl]ethanamine
CID 117386799
4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol
CID 117285258
6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
CID 117343281
5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol
CID 117298840
1-[1-(3-chloro-2-fluoro-5,6-dimethylphenyl)cyclopropyl]ethanamine
CID 117356652

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-aminoethyl)cyclopropyl]-2,3-dimethylphenol?
The IUPAC name of 5-[1-(1-aminoethyl)cyclopropyl]-2,3-dimethylphenol (CID 117293797) is 5-[1-(1-aminoethyl)cyclopropyl]-2,3-dimethylphenol.
What is the SMILES notation for 5-[1-(1-aminoethyl)cyclopropyl]-2,3-dimethylphenol?
The canonical SMILES for 5-[1-(1-aminoethyl)cyclopropyl]-2,3-dimethylphenol is Cc1cc(C2(C(C)N)CC2)cc(O)c1C.
What is the InChIKey of 5-[1-(1-aminoethyl)cyclopropyl]-2,3-dimethylphenol?
The InChIKey is VCRMWVGOHNLVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-8-6-11(7-12(15)9(8)2)13(4-5-13)10(3)14/h6-7,10,15H,4-5,14H2,1-3H3.
What are the key properties of 5-[1-(1-aminoethyl)cyclopropyl]-2,3-dimethylphenol?
5-[1-(1-aminoethyl)cyclopropyl]-2,3-dimethylphenol has a molecular weight of 205.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-aminoethyl)cyclopropyl]-2,3-dimethylphenol is sourced from PubChem (CID 117293797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).