4-(1-aminoethyl)-2-(3,3-dimethylcyclopentyl)oxyphenol

C15H23NO2 — CID 117377486

IUPAC4-(1-aminoethyl)-2-(3,3-dimethylcyclopentyl)oxyphenol
SMILESCC(N)c1ccc(O)c(OC2CCC(C)(C)C2)c1
InChIInChI=1S/C15H23NO2/c1-10(16)11-4-5-13(17)14(8-11)18-12-6-7-15(2,3)9-12/h4-5,8,10,12,17H,6-7,9,16H2,1-3H3
InChIKeyYZVDRVHVIMMYRY-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.37
Rot. Bonds3

About 4-(1-aminoethyl)-2-(3,3-dimethylcyclopentyl)oxyphenol

4-(1-aminoethyl)-2-(3,3-dimethylcyclopentyl)oxyphenol (PubChem CID 117377486) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-(1-aminoethyl)-2-(3,3-dimethylcyclopentyl)oxyphenol.

Molecular Properties

Compound Name4-(1-aminoethyl)-2-(3,3-dimethylcyclopentyl)oxyphenol
PubChem CID117377486
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-(1-aminoethyl)-2-(3,3-dimethylcyclopentyl)oxyphenol
SMILESCC(N)c1ccc(O)c(OC2CCC(C)(C)C2)c1
InChIInChI=1S/C15H23NO2/c1-10(16)11-4-5-13(17)14(8-11)18-12-6-7-15(2,3)9-12/h4-5,8,10,12,17H,6-7,9,16H2,1-3H3
InChIKeyYZVDRVHVIMMYRY-UHFFFAOYSA-N
XLogP3.37
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[3-(3,3-dimethylcyclopentyl)oxy-4-hydroxyphenyl]acetic acid
CID 117447876
2-(3,3-dimethylcyclopentyl)oxy-4-(hydroxymethyl)phenol
CID 117345058
4-(5-amino-1-methylpyrazol-3-yl)-2-(3,3-dimethylcyclopentyl)oxyphenol
CID 136966419
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
(1S)-1-[3-fluoro-4-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanamine
CID 78937921
(1R)-1-[3-fluoro-4-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanamine
CID 63369654
(1R)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethanamine
CID 30119294
4-[(1R)-1-aminoethyl]-2-methylphenol
CID 59272894
(3,3-dimethylcyclopentyl) 4-hydroxy-3-methoxybenzoate
CID 70901489
1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine
CID 130562859
1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine;hydrochloride
CID 155346993

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-2-(3,3-dimethylcyclopentyl)oxyphenol?
The IUPAC name of 4-(1-aminoethyl)-2-(3,3-dimethylcyclopentyl)oxyphenol (CID 117377486) is 4-(1-aminoethyl)-2-(3,3-dimethylcyclopentyl)oxyphenol.
What is the SMILES notation for 4-(1-aminoethyl)-2-(3,3-dimethylcyclopentyl)oxyphenol?
The canonical SMILES for 4-(1-aminoethyl)-2-(3,3-dimethylcyclopentyl)oxyphenol is CC(N)c1ccc(O)c(OC2CCC(C)(C)C2)c1.
What is the InChIKey of 4-(1-aminoethyl)-2-(3,3-dimethylcyclopentyl)oxyphenol?
The InChIKey is YZVDRVHVIMMYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(16)11-4-5-13(17)14(8-11)18-12-6-7-15(2,3)9-12/h4-5,8,10,12,17H,6-7,9,16H2,1-3H3.
What are the key properties of 4-(1-aminoethyl)-2-(3,3-dimethylcyclopentyl)oxyphenol?
4-(1-aminoethyl)-2-(3,3-dimethylcyclopentyl)oxyphenol has a molecular weight of 249.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-2-(3,3-dimethylcyclopentyl)oxyphenol is sourced from PubChem (CID 117377486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).