5-[1-(1-aminoethyl)cyclopropyl]-2-(hydroxymethyl)phenol

C12H17NO2 — CID 117296045

IUPAC5-[1-(1-aminoethyl)cyclopropyl]-2-(hydroxymethyl)phenol
SMILESCC(N)C1(c2ccc(CO)c(O)c2)CC1
InChIInChI=1S/C12H17NO2/c1-8(13)12(4-5-12)10-3-2-9(7-14)11(15)6-10/h2-3,6,8,14-15H,4-5,7,13H2,1H3
InChIKeyNYRLPISXCHMBTA-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.26
Rot. Bonds3

About 5-[1-(1-aminoethyl)cyclopropyl]-2-(hydroxymethyl)phenol

5-[1-(1-aminoethyl)cyclopropyl]-2-(hydroxymethyl)phenol (PubChem CID 117296045) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 5-[1-(1-aminoethyl)cyclopropyl]-2-(hydroxymethyl)phenol.

Molecular Properties

Compound Name5-[1-(1-aminoethyl)cyclopropyl]-2-(hydroxymethyl)phenol
PubChem CID117296045
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name5-[1-(1-aminoethyl)cyclopropyl]-2-(hydroxymethyl)phenol
SMILESCC(N)C1(c2ccc(CO)c(O)c2)CC1
InChIInChI=1S/C12H17NO2/c1-8(13)12(4-5-12)10-3-2-9(7-14)11(15)6-10/h2-3,6,8,14-15H,4-5,7,13H2,1H3
InChIKeyNYRLPISXCHMBTA-UHFFFAOYSA-N
XLogP1.26
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol
CID 117285258
5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
CID 117301518
5-(1-aminocyclohexyl)-2-(hydroxymethyl)phenol
CID 117316467
1-[1-(3-fluoro-4-pentan-3-ylphenyl)cyclopropyl]ethanamine
CID 117377665
5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol
CID 117323547
5-[1-(1-aminoethyl)cyclopropyl]-2,3-dimethylphenol
CID 117293797
1-[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117343261
1-[1-(4-methyl-3-methylsulfanylphenyl)cyclopropyl]ethanamine
CID 117317155
1-[1-(4-chloro-3-fluorophenyl)cyclopropyl]ethanamine
CID 83689421
1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine
CID 117046693
5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-N,N-dimethylaniline
CID 117118391
1-[1-(4-methylsulfanylphenyl)cyclopropyl]ethanamine
CID 83702166

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-aminoethyl)cyclopropyl]-2-(hydroxymethyl)phenol?
The IUPAC name of 5-[1-(1-aminoethyl)cyclopropyl]-2-(hydroxymethyl)phenol (CID 117296045) is 5-[1-(1-aminoethyl)cyclopropyl]-2-(hydroxymethyl)phenol.
What is the SMILES notation for 5-[1-(1-aminoethyl)cyclopropyl]-2-(hydroxymethyl)phenol?
The canonical SMILES for 5-[1-(1-aminoethyl)cyclopropyl]-2-(hydroxymethyl)phenol is CC(N)C1(c2ccc(CO)c(O)c2)CC1.
What is the InChIKey of 5-[1-(1-aminoethyl)cyclopropyl]-2-(hydroxymethyl)phenol?
The InChIKey is NYRLPISXCHMBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(13)12(4-5-12)10-3-2-9(7-14)11(15)6-10/h2-3,6,8,14-15H,4-5,7,13H2,1H3.
What are the key properties of 5-[1-(1-aminoethyl)cyclopropyl]-2-(hydroxymethyl)phenol?
5-[1-(1-aminoethyl)cyclopropyl]-2-(hydroxymethyl)phenol has a molecular weight of 207.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-aminoethyl)cyclopropyl]-2-(hydroxymethyl)phenol is sourced from PubChem (CID 117296045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).