3-(1-amino-3-hydroxypropyl)-4-ethylphenol

C11H17NO2 — CID 55269624

IUPAC3-(1-amino-3-hydroxypropyl)-4-ethylphenol
SMILESCCc1ccc(O)cc1C(N)CCO
InChIInChI=1S/C11H17NO2/c1-2-8-3-4-9(14)7-10(8)11(12)5-6-13/h3-4,7,11,13-14H,2,5-6,12H2,1H3
InChIKeyROKMTGDRNDFJQE-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.34
Rot. Bonds4

About 3-(1-amino-3-hydroxypropyl)-4-ethylphenol

3-(1-amino-3-hydroxypropyl)-4-ethylphenol (PubChem CID 55269624) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-(1-amino-3-hydroxypropyl)-4-ethylphenol.

Molecular Properties

Compound Name3-(1-amino-3-hydroxypropyl)-4-ethylphenol
PubChem CID55269624
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-(1-amino-3-hydroxypropyl)-4-ethylphenol
SMILESCCc1ccc(O)cc1C(N)CCO
InChIInChI=1S/C11H17NO2/c1-2-8-3-4-9(14)7-10(8)11(12)5-6-13/h3-4,7,11,13-14H,2,5-6,12H2,1H3
InChIKeyROKMTGDRNDFJQE-UHFFFAOYSA-N
XLogP1.34
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride
CID 170874839
3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol
CID 131075568
3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol
CID 55271938
3-[(1S)-1-amino-2-hydroxypropyl]-4-ethylphenol
CID 131128646
4-[(1R)-1-amino-3-hydroxypropyl]benzene-1,3-diol;hydrochloride
CID 171200142
4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol
CID 55270720
3-(1-aminoprop-2-enyl)-4-ethylphenol
CID 55282730
4-[(1S)-1-amino-3-hydroxypropyl]-3-(trifluoromethyl)phenol
CID 131872319
2-[(1R)-1-amino-3-hydroxypropyl]-6-ethylphenol
CID 171257210
2-[(1R)-1-amino-4-hydroxybutyl]benzene-1,4-diol
CID 55265459
4-(2-aminopropyl)-3-ethylphenol
CID 130001636
(1S)-1-(2-ethyl-5-methylphenyl)butan-1-amine
CID 55296637

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-3-hydroxypropyl)-4-ethylphenol?
The IUPAC name of 3-(1-amino-3-hydroxypropyl)-4-ethylphenol (CID 55269624) is 3-(1-amino-3-hydroxypropyl)-4-ethylphenol.
What is the SMILES notation for 3-(1-amino-3-hydroxypropyl)-4-ethylphenol?
The canonical SMILES for 3-(1-amino-3-hydroxypropyl)-4-ethylphenol is CCc1ccc(O)cc1C(N)CCO.
What is the InChIKey of 3-(1-amino-3-hydroxypropyl)-4-ethylphenol?
The InChIKey is ROKMTGDRNDFJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-8-3-4-9(14)7-10(8)11(12)5-6-13/h3-4,7,11,13-14H,2,5-6,12H2,1H3.
What are the key properties of 3-(1-amino-3-hydroxypropyl)-4-ethylphenol?
3-(1-amino-3-hydroxypropyl)-4-ethylphenol has a molecular weight of 195.26 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-3-hydroxypropyl)-4-ethylphenol is sourced from PubChem (CID 55269624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).