2-amino-1-[4-(1-ethoxyethoxy)phenyl]ethanol

C12H19NO3 — CID 11379114

IUPAC2-amino-1-[4-(1-ethoxyethoxy)phenyl]ethanol
SMILESCCOC(C)Oc1ccc(C(O)CN)cc1
InChIInChI=1S/C12H19NO3/c1-3-15-9(2)16-11-6-4-10(5-7-11)12(14)8-13/h4-7,9,12,14H,3,8,13H2,1-2H3
InChIKeyQHQYIAUJEYEOHC-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.44
Rot. Bonds6

About 2-amino-1-[4-(1-ethoxyethoxy)phenyl]ethanol

2-amino-1-[4-(1-ethoxyethoxy)phenyl]ethanol (PubChem CID 11379114) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-amino-1-[4-(1-ethoxyethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[4-(1-ethoxyethoxy)phenyl]ethanol
PubChem CID11379114
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-amino-1-[4-(1-ethoxyethoxy)phenyl]ethanol
SMILESCCOC(C)Oc1ccc(C(O)CN)cc1
InChIInChI=1S/C12H19NO3/c1-3-15-9(2)16-11-6-4-10(5-7-11)12(14)8-13/h4-7,9,12,14H,3,8,13H2,1-2H3
InChIKeyQHQYIAUJEYEOHC-UHFFFAOYSA-N
XLogP1.44
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-amino-1-[4-(1-ethoxyethoxy)phenyl]ethanol 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

1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
1,4-bis[bis[4-(1-ethoxyethoxy)phenyl]methyl]benzene
CID 90276539
4-(1-ethoxyethoxy)aniline
CID 139920192
3,3-bis[4-(1-ethoxyethoxy)phenyl]-2-hydroxypropanoic acid
CID 57190095
tert-butyl 3,3-bis[4-(1-ethoxyethoxy)phenyl]-2-hydroxypropanoate
CID 54137263
2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol
CID 102533878
2-amino-1-[4-(1-hydroxyethyl)phenyl]ethanol
CID 117278888
1-(1-ethoxyethoxy)-4-[4-(1-ethoxyethoxy)phenyl]tellanylbenzene
CID 140901390
2-ethoxy-2-(4-propan-2-yloxyphenyl)ethanamine
CID 66072366
1-(2,5-dimethylheptan-4-yl)-4-(1-ethoxyethoxy)benzene
CID 123503822
triethoxy-[3-[4-(1-ethoxyethoxy)phenyl]propyl]silane
CID 123955246
1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
CID 22726285

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(1-ethoxyethoxy)phenyl]ethanol?
The IUPAC name of 2-amino-1-[4-(1-ethoxyethoxy)phenyl]ethanol (CID 11379114) is 2-amino-1-[4-(1-ethoxyethoxy)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[4-(1-ethoxyethoxy)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[4-(1-ethoxyethoxy)phenyl]ethanol is CCOC(C)Oc1ccc(C(O)CN)cc1.
What is the InChIKey of 2-amino-1-[4-(1-ethoxyethoxy)phenyl]ethanol?
The InChIKey is QHQYIAUJEYEOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-15-9(2)16-11-6-4-10(5-7-11)12(14)8-13/h4-7,9,12,14H,3,8,13H2,1-2H3.
What are the key properties of 2-amino-1-[4-(1-ethoxyethoxy)phenyl]ethanol?
2-amino-1-[4-(1-ethoxyethoxy)phenyl]ethanol has a molecular weight of 225.29 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(1-ethoxyethoxy)phenyl]ethanol is sourced from PubChem (CID 11379114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).