[5-(4-chloro-N-ethyl-3-methylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanol

C20H24ClNO — CID 118349273

IUPAC[5-(4-chloro-N-ethyl-3-methylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanol
SMILESCCN(c1ccc(Cl)c(C)c1)C1CCCc2c(CO)cccc21
InChIInChI=1S/C20H24ClNO/c1-3-22(16-10-11-19(21)14(2)12-16)20-9-5-7-17-15(13-23)6-4-8-18(17)20/h4,6,8,10-12,20,23H,3,5,7,9,13H2,1-2H3
InChIKeyXGDAZGZVIUAQEQ-UHFFFAOYSA-N
MW329.87 g/mol
LogP5.04
Rot. Bonds4

About [5-(4-chloro-N-ethyl-3-methylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanol

[5-(4-chloro-N-ethyl-3-methylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanol (PubChem CID 118349273) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is [5-(4-chloro-N-ethyl-3-methylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanol.

Molecular Properties

Compound Name[5-(4-chloro-N-ethyl-3-methylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanol
PubChem CID118349273
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name[5-(4-chloro-N-ethyl-3-methylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanol
SMILESCCN(c1ccc(Cl)c(C)c1)C1CCCc2c(CO)cccc21
InChIInChI=1S/C20H24ClNO/c1-3-22(16-10-11-19(21)14(2)12-16)20-9-5-7-17-15(13-23)6-4-8-18(17)20/h4,6,8,10-12,20,23H,3,5,7,9,13H2,1-2H3
InChIKeyXGDAZGZVIUAQEQ-UHFFFAOYSA-N
XLogP5.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.87
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-(4-chloro-N-ethyl-3-methylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(4-chloro-N-ethyl-3-methylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanol?
The IUPAC name of [5-(4-chloro-N-ethyl-3-methylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanol (CID 118349273) is [5-(4-chloro-N-ethyl-3-methylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanol.
What is the SMILES notation for [5-(4-chloro-N-ethyl-3-methylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanol?
The canonical SMILES for [5-(4-chloro-N-ethyl-3-methylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanol is CCN(c1ccc(Cl)c(C)c1)C1CCCc2c(CO)cccc21.
What is the InChIKey of [5-(4-chloro-N-ethyl-3-methylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanol?
The InChIKey is XGDAZGZVIUAQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO/c1-3-22(16-10-11-19(21)14(2)12-16)20-9-5-7-17-15(13-23)6-4-8-18(17)20/h4,6,8,10-12,20,23H,3,5,7,9,13H2,1-2H3.
What are the key properties of [5-(4-chloro-N-ethyl-3-methylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanol?
[5-(4-chloro-N-ethyl-3-methylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanol has a molecular weight of 329.87 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chloro-N-ethyl-3-methylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]methanol is sourced from PubChem (CID 118349273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).