N-benzyl-2-[3,4-dichloro-2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine

C19H24Cl2N2O — CID 18933589

IUPACN-benzyl-2-[3,4-dichloro-2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine
SMILESCN(C)Cc1c(OCCN(C)Cc2ccccc2)ccc(Cl)c1Cl
InChIInChI=1S/C19H24Cl2N2O/c1-22(2)14-16-18(10-9-17(20)19(16)21)24-12-11-23(3)13-15-7-5-4-6-8-15/h4-10H,11-14H2,1-3H3
InChIKeyYCGKQTRFFPRWPQ-UHFFFAOYSA-N
MW367.32 g/mol
LogP4.57
Rot. Bonds8

About N-benzyl-2-[3,4-dichloro-2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine

N-benzyl-2-[3,4-dichloro-2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine (PubChem CID 18933589) has the molecular formula C19H24Cl2N2O and a molecular weight of 367.32 g/mol. Its IUPAC name is N-benzyl-2-[3,4-dichloro-2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine.

Molecular Properties

Compound NameN-benzyl-2-[3,4-dichloro-2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine
PubChem CID18933589
Molecular FormulaC19H24Cl2N2O
Molecular Weight367.32 g/mol
Exact Mass366.13
IUPAC NameN-benzyl-2-[3,4-dichloro-2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine
SMILESCN(C)Cc1c(OCCN(C)Cc2ccccc2)ccc(Cl)c1Cl
InChIInChI=1S/C19H24Cl2N2O/c1-22(2)14-16-18(10-9-17(20)19(16)21)24-12-11-23(3)13-15-7-5-4-6-8-15/h4-10H,11-14H2,1-3H3
InChIKeyYCGKQTRFFPRWPQ-UHFFFAOYSA-N
XLogP4.57
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[benzyl(methyl)amino]ethoxy]-6-chlorobenzaldehyde
CID 18933661
4-[2-[benzyl(methyl)amino]ethoxy]-3-[(dimethylamino)methyl]benzonitrile
CID 18933650
N-benzyl-4-(4-chloro-2,3-dimethylphenoxy)-N-methylbutan-1-amine;oxalic acid
CID 2935170
N-benzyl-2-(2-cyclopropylphenoxy)-N-methylethanamine
CID 130453676
1-[2-[2-[benzyl(methyl)amino]ethoxy]phenyl]cyclopropane-1-carbonitrile
CID 130453663
N-benzyl-3-(4-chloro-3,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 2182131
2-(2-amino-2-methylpropyl)-3-[2-[benzyl(methyl)amino]ethoxy]benzonitrile
CID 67668247
2-[4-[[benzyl(methyl)amino]methyl]-2-chlorophenoxy]propanoic acid
CID 91788551
N-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine
CID 2182565
bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone
CID 90685991
3-[[2-(2,5-dichlorophenoxy)ethyl-methylamino]methyl]benzonitrile
CID 112820101
7-[2-[benzyl(methyl)amino]ethoxy]-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride
CID 67645541

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3,4-dichloro-2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine?
The IUPAC name of N-benzyl-2-[3,4-dichloro-2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine (CID 18933589) is N-benzyl-2-[3,4-dichloro-2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine.
What is the SMILES notation for N-benzyl-2-[3,4-dichloro-2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine?
The canonical SMILES for N-benzyl-2-[3,4-dichloro-2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine is CN(C)Cc1c(OCCN(C)Cc2ccccc2)ccc(Cl)c1Cl.
What is the InChIKey of N-benzyl-2-[3,4-dichloro-2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine?
The InChIKey is YCGKQTRFFPRWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O/c1-22(2)14-16-18(10-9-17(20)19(16)21)24-12-11-23(3)13-15-7-5-4-6-8-15/h4-10H,11-14H2,1-3H3.
What are the key properties of N-benzyl-2-[3,4-dichloro-2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine?
N-benzyl-2-[3,4-dichloro-2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine has a molecular weight of 367.32 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3,4-dichloro-2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine is sourced from PubChem (CID 18933589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).