3,4-dichloro-N-methylaniline;formaldehyde

C8H9Cl2NO — CID 153392117

IUPAC3,4-dichloro-N-methylaniline;formaldehyde
SMILESC=O.CNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H7Cl2N.CH2O/c1-10-5-2-3-6(8)7(9)4-5;1-2/h2-4,10H,1H3;1H2
InChIKeyYOGXOFDGNVOOIR-UHFFFAOYSA-N
MW206.07 g/mol
LogP2.85
Rot. Bonds1

About 3,4-dichloro-N-methylaniline;formaldehyde

3,4-dichloro-N-methylaniline;formaldehyde (PubChem CID 153392117) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is 3,4-dichloro-N-methylaniline;formaldehyde.

Molecular Properties

Compound Name3,4-dichloro-N-methylaniline;formaldehyde
PubChem CID153392117
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC Name3,4-dichloro-N-methylaniline;formaldehyde
SMILESC=O.CNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H7Cl2N.CH2O/c1-10-5-2-3-6(8)7(9)4-5;1-2/h2-4,10H,1H3;1H2
InChIKeyYOGXOFDGNVOOIR-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-methylaniline;N-phenylformamide
CID 178016715
4-chloro-3-(2,5-dichlorophenyl)-N-methylaniline
CID 173098697
5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 113423614
N-(3,4-dichlorophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639765
3-chloro-4-fluoro-N-methylaniline;ethane
CID 142993697
3-N-(3,4-dichlorophenyl)-4-N-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine
CID 56693554
(3,4-dichlorophenyl)hydrazine;ethane
CID 143531721
3-N-(3,4-dichlorophenyl)-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80768908
N-(3,4-dichlorophenyl)-2-methylprop-2-enamide
CID 16560
4-chloro-N-methyl-3-(triazol-2-yl)aniline
CID 176677505
3,4-dichloro-N-iodoaniline
CID 134221439
[2-chloro-5-(methylamino)phenyl]-phenylmethanone
CID 21314189

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-methylaniline;formaldehyde?
The IUPAC name of 3,4-dichloro-N-methylaniline;formaldehyde (CID 153392117) is 3,4-dichloro-N-methylaniline;formaldehyde.
What is the SMILES notation for 3,4-dichloro-N-methylaniline;formaldehyde?
The canonical SMILES for 3,4-dichloro-N-methylaniline;formaldehyde is C=O.CNc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-methylaniline;formaldehyde?
The InChIKey is YOGXOFDGNVOOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N.CH2O/c1-10-5-2-3-6(8)7(9)4-5;1-2/h2-4,10H,1H3;1H2.
What are the key properties of 3,4-dichloro-N-methylaniline;formaldehyde?
3,4-dichloro-N-methylaniline;formaldehyde has a molecular weight of 206.07 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-methylaniline;formaldehyde is sourced from PubChem (CID 153392117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).