4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol

C18H23ClN2O — CID 142099011

IUPAC4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol
SMILESCN(CCN(C)Cc1ccc(O)c(Cl)c1)Cc1ccccc1
InChIInChI=1S/C18H23ClN2O/c1-20(13-15-6-4-3-5-7-15)10-11-21(2)14-16-8-9-18(22)17(19)12-16/h3-9,12,22H,10-11,13-14H2,1-2H3
InChIKeyRTOXJRNZZZXUNJ-UHFFFAOYSA-N
MW318.85 g/mol
LogP3.61
Rot. Bonds7

About 4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol

4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol (PubChem CID 142099011) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is 4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol.

Molecular Properties

Compound Name4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol
PubChem CID142099011
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol
SMILESCN(CCN(C)Cc1ccc(O)c(Cl)c1)Cc1ccccc1
InChIInChI=1S/C18H23ClN2O/c1-20(13-15-6-4-3-5-7-15)10-11-21(2)14-16-8-9-18(22)17(19)12-16/h3-9,12,22H,10-11,13-14H2,1-2H3
InChIKeyRTOXJRNZZZXUNJ-UHFFFAOYSA-N
XLogP3.61
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol 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

2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol
CID 142099000
2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
CID 82981146
2-chloro-4-[(N-methylanilino)methyl]phenol
CID 82974348
2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 82981036
2-chloro-4-[(dimethylamino)methyl]phenol
CID 4289948
2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol
CID 142098901
2-[(3-chloro-4-hydroxyphenyl)methyl-methylamino]-N-methylacetamide
CID 82977249
2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol
CID 82980683
2-[2-[benzyl(methyl)amino]ethyl]phenol
CID 70480829
2-[4-[[benzyl(methyl)amino]methyl]-2-chlorophenoxy]propanoic acid
CID 91788551
2-chloro-5-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 65485068
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol?
The IUPAC name of 4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol (CID 142099011) is 4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol.
What is the SMILES notation for 4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol?
The canonical SMILES for 4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol is CN(CCN(C)Cc1ccc(O)c(Cl)c1)Cc1ccccc1.
What is the InChIKey of 4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol?
The InChIKey is RTOXJRNZZZXUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O/c1-20(13-15-6-4-3-5-7-15)10-11-21(2)14-16-8-9-18(22)17(19)12-16/h3-9,12,22H,10-11,13-14H2,1-2H3.
What are the key properties of 4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol?
4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol has a molecular weight of 318.85 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol is sourced from PubChem (CID 142099011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).