2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol

C18H21Cl3N2O — CID 142099000

IUPAC2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol
SMILESCN(CCN(C)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C18H21Cl3N2O/c1-22(11-13-3-5-15(19)16(20)9-13)7-8-23(2)12-14-4-6-18(24)17(21)10-14/h3-6,9-10,24H,7-8,11-12H2,1-2H3
InChIKeyIASHFTKFADNAGY-UHFFFAOYSA-N
MW387.74 g/mol
LogP4.92
Rot. Bonds7

About 2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol

2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol (PubChem CID 142099000) has the molecular formula C18H21Cl3N2O and a molecular weight of 387.74 g/mol. Its IUPAC name is 2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol
PubChem CID142099000
Molecular FormulaC18H21Cl3N2O
Molecular Weight387.74 g/mol
Exact Mass386.07
IUPAC Name2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol
SMILESCN(CCN(C)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C18H21Cl3N2O/c1-22(11-13-3-5-15(19)16(20)9-13)7-8-23(2)12-14-4-6-18(24)17(21)10-14/h3-6,9-10,24H,7-8,11-12H2,1-2H3
InChIKeyIASHFTKFADNAGY-UHFFFAOYSA-N
XLogP4.92
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.74
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
CID 82981146
4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol
CID 142099011
2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol
CID 142098901
2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 82981036
2-chloro-4-[(dimethylamino)methyl]phenol
CID 4289948
N'-[(3,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373737
3-[(3,4-dichlorophenyl)methyl-methylamino]propanethioamide
CID 29009744
2-[(3-chloro-4-hydroxyphenyl)methyl-methylamino]-N-methylacetamide
CID 82977249
2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol
CID 82980683
methyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate
CID 60670410
4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline
CID 43458300
2-chloro-4-[(N-methylanilino)methyl]phenol
CID 82974348

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol?
The IUPAC name of 2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol (CID 142099000) is 2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol is CN(CCN(C)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol?
The InChIKey is IASHFTKFADNAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl3N2O/c1-22(11-13-3-5-15(19)16(20)9-13)7-8-23(2)12-14-4-6-18(24)17(21)10-14/h3-6,9-10,24H,7-8,11-12H2,1-2H3.
What are the key properties of 2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol?
2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol has a molecular weight of 387.74 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol is sourced from PubChem (CID 142099000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).