3-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline

C16H18Cl2N2 — CID 63551540

IUPAC3-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline
SMILESCNCc1c(Cl)cccc1N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H18Cl2N2/c1-19-10-14-15(18)7-4-8-16(14)20(2)11-12-5-3-6-13(17)9-12/h3-9,19H,10-11H2,1-2H3
InChIKeyQMIZTBOBVCOQPX-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.35
Rot. Bonds5

About 3-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline

3-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline (PubChem CID 63551540) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 3-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline
PubChem CID63551540
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name3-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline
SMILESCNCc1c(Cl)cccc1N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H18Cl2N2/c1-19-10-14-15(18)7-4-8-16(14)20(2)11-12-5-3-6-13(17)9-12/h3-9,19H,10-11H2,1-2H3
InChIKeyQMIZTBOBVCOQPX-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

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Related Compounds

3-chloro-N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline
CID 61411575
3-chloro-N-methyl-2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 43564469
3-chloro-1-N-[(3-chlorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834227
3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline
CID 65488208
N-[(3-chlorophenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-4-amine
CID 81246803
1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62431544
3-chloro-N-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)aniline
CID 60893128
3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)aniline
CID 60912716
2-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 63532231
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
3-chloro-N-methyl-2-(methylaminomethyl)-N-pentan-3-ylaniline
CID 43571403
2-amino-3-[(3-chlorophenyl)methyl-methylamino]benzonitrile
CID 104716421

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline?
The IUPAC name of 3-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline (CID 63551540) is 3-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline.
What is the SMILES notation for 3-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline?
The canonical SMILES for 3-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline is CNCc1c(Cl)cccc1N(C)Cc1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline?
The InChIKey is QMIZTBOBVCOQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-19-10-14-15(18)7-4-8-16(14)20(2)11-12-5-3-6-13(17)9-12/h3-9,19H,10-11H2,1-2H3.
What are the key properties of 3-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline?
3-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline 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 3-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline is sourced from PubChem (CID 63551540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).