4-[[(2,6-dichlorophenyl)methylamino]methyl]-N,N-dimethylaniline

C16H18Cl2N2 — CID 28538578

IUPAC4-[[(2,6-dichlorophenyl)methylamino]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CNCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H18Cl2N2/c1-20(2)13-8-6-12(7-9-13)10-19-11-14-15(17)4-3-5-16(14)18/h3-9,19H,10-11H2,1-2H3
InChIKeyOWKHUFNMGHENGA-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.35
Rot. Bonds5

About 4-[[(2,6-dichlorophenyl)methylamino]methyl]-N,N-dimethylaniline

4-[[(2,6-dichlorophenyl)methylamino]methyl]-N,N-dimethylaniline (PubChem CID 28538578) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 4-[[(2,6-dichlorophenyl)methylamino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[(2,6-dichlorophenyl)methylamino]methyl]-N,N-dimethylaniline
PubChem CID28538578
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name4-[[(2,6-dichlorophenyl)methylamino]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CNCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H18Cl2N2/c1-20(2)13-8-6-12(7-9-13)10-19-11-14-15(17)4-3-5-16(14)18/h3-9,19H,10-11H2,1-2H3
InChIKeyOWKHUFNMGHENGA-UHFFFAOYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899463
4-[[(2,6-dichlorophenyl)methylamino]methyl]phenol
CID 115603316
N-[[4-[[(2,6-dichlorophenyl)methylamino]methyl]phenyl]methyl]prop-1-en-2-amine
CID 18728431
4-[[(4-bromo-2-chlorophenyl)methylamino]methyl]-N,N-dimethylaniline
CID 115595283
N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine
CID 3029601
4-[[(2-bromophenyl)methylamino]methyl]-N,N-dimethylaniline
CID 28679649
N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine;tetrahydrochloride
CID 3029600
2-bromo-6-[[[4-(dimethylamino)phenyl]methylamino]methyl]phenol
CID 61390527
4-[(2-chloroprop-2-enylamino)methyl]-N,N-dimethylaniline
CID 115574896
1-[(2-chlorophenyl)methyl]-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 38949067
1-(1,3-benzodioxol-5-yl)-N-[(2,6-dichlorophenyl)methyl]methanamine
CID 4718012
1-N-[(2,6-dichlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 43676987

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,6-dichlorophenyl)methylamino]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[(2,6-dichlorophenyl)methylamino]methyl]-N,N-dimethylaniline (CID 28538578) is 4-[[(2,6-dichlorophenyl)methylamino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[(2,6-dichlorophenyl)methylamino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[(2,6-dichlorophenyl)methylamino]methyl]-N,N-dimethylaniline is CN(C)c1ccc(CNCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 4-[[(2,6-dichlorophenyl)methylamino]methyl]-N,N-dimethylaniline?
The InChIKey is OWKHUFNMGHENGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-20(2)13-8-6-12(7-9-13)10-19-11-14-15(17)4-3-5-16(14)18/h3-9,19H,10-11H2,1-2H3.
What are the key properties of 4-[[(2,6-dichlorophenyl)methylamino]methyl]-N,N-dimethylaniline?
4-[[(2,6-dichlorophenyl)methylamino]methyl]-N,N-dimethylaniline has a molecular weight of 309.24 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,6-dichlorophenyl)methylamino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 28538578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).