[5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol

C16H20N2O2 — CID 66419817

IUPAC[5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(NCc2ccccc2N)cc1CO
InChIInChI=1S/C16H20N2O2/c1-2-20-16-8-7-14(9-13(16)11-19)18-10-12-5-3-4-6-15(12)17/h3-9,18-19H,2,10-11,17H2,1H3
InChIKeyVJZZKOGWHRFZKH-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.77
Rot. Bonds6

About [5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol

[5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol (PubChem CID 66419817) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol.

Molecular Properties

Compound Name[5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol
PubChem CID66419817
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(NCc2ccccc2N)cc1CO
InChIInChI=1S/C16H20N2O2/c1-2-20-16-8-7-14(9-13(16)11-19)18-10-12-5-3-4-6-15(12)17/h3-9,18-19H,2,10-11,17H2,1H3
InChIKeyVJZZKOGWHRFZKH-UHFFFAOYSA-N
XLogP2.77
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol 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

[5-[(3,5-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 60980596
[2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol
CID 60980868
[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol
CID 61324347
[5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol
CID 54880065
[2-ethoxy-5-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanol
CID 66412545
[5-[(4-bromo-2-chlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 115744065
2-[(2-ethoxyanilino)methyl]aniline
CID 66385823
[5-[(3,4-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 60981003
[2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol
CID 62763564
N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 66385653
[2-ethoxy-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanol
CID 54880114
[2-ethoxy-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]methanol
CID 62742857

Frequently Asked Questions

What is the IUPAC name of [5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol?
The IUPAC name of [5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol (CID 66419817) is [5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol.
What is the SMILES notation for [5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol?
The canonical SMILES for [5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol is CCOc1ccc(NCc2ccccc2N)cc1CO.
What is the InChIKey of [5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol?
The InChIKey is VJZZKOGWHRFZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-20-16-8-7-14(9-13(16)11-19)18-10-12-5-3-4-6-15(12)17/h3-9,18-19H,2,10-11,17H2,1H3.
What are the key properties of [5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol?
[5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol has a molecular weight of 272.35 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol is sourced from PubChem (CID 66419817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).