[3-[(4-chloro-N-ethyl-3,5-dimethylanilino)methyl]phenyl]methanol

C18H22ClNO — CID 118349174

IUPAC[3-[(4-chloro-N-ethyl-3,5-dimethylanilino)methyl]phenyl]methanol
SMILESCCN(Cc1cccc(CO)c1)c1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C18H22ClNO/c1-4-20(11-15-6-5-7-16(10-15)12-21)17-8-13(2)18(19)14(3)9-17/h5-10,21H,4,11-12H2,1-3H3
InChIKeyLHJJXZBSKBJBHT-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.48
Rot. Bonds5

About [3-[(4-chloro-N-ethyl-3,5-dimethylanilino)methyl]phenyl]methanol

[3-[(4-chloro-N-ethyl-3,5-dimethylanilino)methyl]phenyl]methanol (PubChem CID 118349174) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is [3-[(4-chloro-N-ethyl-3,5-dimethylanilino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(4-chloro-N-ethyl-3,5-dimethylanilino)methyl]phenyl]methanol
PubChem CID118349174
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name[3-[(4-chloro-N-ethyl-3,5-dimethylanilino)methyl]phenyl]methanol
SMILESCCN(Cc1cccc(CO)c1)c1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C18H22ClNO/c1-4-20(11-15-6-5-7-16(10-15)12-21)17-8-13(2)18(19)14(3)9-17/h5-10,21H,4,11-12H2,1-3H3
InChIKeyLHJJXZBSKBJBHT-UHFFFAOYSA-N
XLogP4.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-[(4-chloro-N-ethyl-3,5-dimethylanilino)methyl]phenyl]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 [3-[(4-chloro-N-ethyl-3,5-dimethylanilino)methyl]phenyl]methanol?
The IUPAC name of [3-[(4-chloro-N-ethyl-3,5-dimethylanilino)methyl]phenyl]methanol (CID 118349174) is [3-[(4-chloro-N-ethyl-3,5-dimethylanilino)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(4-chloro-N-ethyl-3,5-dimethylanilino)methyl]phenyl]methanol?
The canonical SMILES for [3-[(4-chloro-N-ethyl-3,5-dimethylanilino)methyl]phenyl]methanol is CCN(Cc1cccc(CO)c1)c1cc(C)c(Cl)c(C)c1.
What is the InChIKey of [3-[(4-chloro-N-ethyl-3,5-dimethylanilino)methyl]phenyl]methanol?
The InChIKey is LHJJXZBSKBJBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-4-20(11-15-6-5-7-16(10-15)12-21)17-8-13(2)18(19)14(3)9-17/h5-10,21H,4,11-12H2,1-3H3.
What are the key properties of [3-[(4-chloro-N-ethyl-3,5-dimethylanilino)methyl]phenyl]methanol?
[3-[(4-chloro-N-ethyl-3,5-dimethylanilino)methyl]phenyl]methanol has a molecular weight of 303.83 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chloro-N-ethyl-3,5-dimethylanilino)methyl]phenyl]methanol is sourced from PubChem (CID 118349174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).