4-(2-amino-1-hydroxyethyl)-2-butoxyphenol

C12H19NO3 — CID 54428460

IUPAC4-(2-amino-1-hydroxyethyl)-2-butoxyphenol
SMILESCCCCOc1cc(C(O)CN)ccc1O
InChIInChI=1S/C12H19NO3/c1-2-3-6-16-12-7-9(11(15)8-13)4-5-10(12)14/h4-5,7,11,14-15H,2-3,6,8,13H2,1H3
InChIKeyWFURKVDOBCQWQA-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.56
Rot. Bonds6

About 4-(2-amino-1-hydroxyethyl)-2-butoxyphenol

4-(2-amino-1-hydroxyethyl)-2-butoxyphenol (PubChem CID 54428460) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(2-amino-1-hydroxyethyl)-2-butoxyphenol.

Molecular Properties

Compound Name4-(2-amino-1-hydroxyethyl)-2-butoxyphenol
PubChem CID54428460
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name4-(2-amino-1-hydroxyethyl)-2-butoxyphenol
SMILESCCCCOc1cc(C(O)CN)ccc1O
InChIInChI=1S/C12H19NO3/c1-2-3-6-16-12-7-9(11(15)8-13)4-5-10(12)14/h4-5,7,11,14-15H,2-3,6,8,13H2,1H3
InChIKeyWFURKVDOBCQWQA-UHFFFAOYSA-N
XLogP1.56
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(1R)-2-amino-1-hydroxyethyl]-2-(1-hydroxyethoxy)phenol
CID 70003904
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
(1R)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242447
(1S)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242449
4-(1-hydroxyheptyl)-2-methoxyphenol
CID 14035097
1-(3,4-dipentoxyphenyl)pentan-1-ol
CID 54470953
4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride
CID 171200829
1-(3-butoxy-4-methoxyphenyl)butan-1-ol
CID 83951524
1-(4-butoxy-3-ethoxyphenyl)butan-1-ol
CID 83952160
4-[(1R)-1-aminohexyl]-2-ethoxyphenol
CID 171200830
potassium;4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydride
CID 173424167
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-hydroxyethyl)-2-butoxyphenol?
The IUPAC name of 4-(2-amino-1-hydroxyethyl)-2-butoxyphenol (CID 54428460) is 4-(2-amino-1-hydroxyethyl)-2-butoxyphenol.
What is the SMILES notation for 4-(2-amino-1-hydroxyethyl)-2-butoxyphenol?
The canonical SMILES for 4-(2-amino-1-hydroxyethyl)-2-butoxyphenol is CCCCOc1cc(C(O)CN)ccc1O.
What is the InChIKey of 4-(2-amino-1-hydroxyethyl)-2-butoxyphenol?
The InChIKey is WFURKVDOBCQWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-3-6-16-12-7-9(11(15)8-13)4-5-10(12)14/h4-5,7,11,14-15H,2-3,6,8,13H2,1H3.
What are the key properties of 4-(2-amino-1-hydroxyethyl)-2-butoxyphenol?
4-(2-amino-1-hydroxyethyl)-2-butoxyphenol has a molecular weight of 225.29 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-hydroxyethyl)-2-butoxyphenol is sourced from PubChem (CID 54428460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).