[5-[(3,4-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol

C16H17Cl2NO2 — CID 60981003

IUPAC[5-[(3,4-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(NCc2ccc(Cl)c(Cl)c2)cc1CO
InChIInChI=1S/C16H17Cl2NO2/c1-2-21-16-6-4-13(8-12(16)10-20)19-9-11-3-5-14(17)15(18)7-11/h3-8,19-20H,2,9-10H2,1H3
InChIKeyUKQMPTVRHSMNEF-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.50
Rot. Bonds6

About [5-[(3,4-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol

[5-[(3,4-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol (PubChem CID 60981003) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is [5-[(3,4-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol.

Molecular Properties

Compound Name[5-[(3,4-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol
PubChem CID60981003
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name[5-[(3,4-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(NCc2ccc(Cl)c(Cl)c2)cc1CO
InChIInChI=1S/C16H17Cl2NO2/c1-2-21-16-6-4-13(8-12(16)10-20)19-9-11-3-5-14(17)15(18)7-11/h3-8,19-20H,2,9-10H2,1H3
InChIKeyUKQMPTVRHSMNEF-UHFFFAOYSA-N
XLogP4.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [5-[(3,4-dichlorophenyl)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-[(4-bromo-2-chlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 115744065
[5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol
CID 54880065
[2-ethoxy-5-[(4-methyl-3-nitrophenyl)methylamino]phenyl]methanol
CID 110897394
[2-ethoxy-5-[(4-imidazol-1-ylphenyl)methylamino]phenyl]methanol
CID 110897397
3,4-dichloro-N-[(3-ethoxy-4-prop-2-ynoxyphenyl)methyl]aniline
CID 126201652
[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol
CID 61324347
[2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol
CID 62763564
[5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 66419817
[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-[(3,4-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol?
The IUPAC name of [5-[(3,4-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol (CID 60981003) is [5-[(3,4-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol.
What is the SMILES notation for [5-[(3,4-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol?
The canonical SMILES for [5-[(3,4-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol is CCOc1ccc(NCc2ccc(Cl)c(Cl)c2)cc1CO.
What is the InChIKey of [5-[(3,4-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol?
The InChIKey is UKQMPTVRHSMNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-2-21-16-6-4-13(8-12(16)10-20)19-9-11-3-5-14(17)15(18)7-11/h3-8,19-20H,2,9-10H2,1H3.
What are the key properties of [5-[(3,4-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol?
[5-[(3,4-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol has a molecular weight of 326.22 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,4-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol is sourced from PubChem (CID 60981003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).