2,6-dichloro-4-[[methyl(propan-2-yl)amino]methyl]aniline

C11H16Cl2N2 — CID 82833176

IUPAC2,6-dichloro-4-[[methyl(propan-2-yl)amino]methyl]aniline
SMILESCC(C)N(C)Cc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C11H16Cl2N2/c1-7(2)15(3)6-8-4-9(12)11(14)10(13)5-8/h4-5,7H,6,14H2,1-3H3
InChIKeyJNLAYWJFRUYKTJ-UHFFFAOYSA-N
MW247.17 g/mol
LogP3.42
Rot. Bonds3

About 2,6-dichloro-4-[[methyl(propan-2-yl)amino]methyl]aniline

2,6-dichloro-4-[[methyl(propan-2-yl)amino]methyl]aniline (PubChem CID 82833176) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is 2,6-dichloro-4-[[methyl(propan-2-yl)amino]methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-[[methyl(propan-2-yl)amino]methyl]aniline
PubChem CID82833176
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name2,6-dichloro-4-[[methyl(propan-2-yl)amino]methyl]aniline
SMILESCC(C)N(C)Cc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C11H16Cl2N2/c1-7(2)15(3)6-8-4-9(12)11(14)10(13)5-8/h4-5,7H,6,14H2,1-3H3
InChIKeyJNLAYWJFRUYKTJ-UHFFFAOYSA-N
XLogP3.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 82833187
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 117044084
2,6-dichloro-4-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline
CID 82833472
2,6-dichloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 82832762
4-[2-(tert-butylamino)propyl]-2,6-dichloroaniline
CID 56985417
2-chloro-5-[[methyl(4-methylpentan-2-yl)amino]methyl]aniline
CID 55001079
2,6-dichloro-4-[[prop-2-enyl(propyl)amino]methyl]aniline
CID 82841853
(2S)-2-[(3,5-dichlorophenyl)methyl-methylamino]propanamide
CID 94190668
1-(3,5-dichloro-4-methylphenyl)-N,N-dimethylmethanamine
CID 70823665
3-chloro-4-[2-[methyl(propan-2-yl)amino]ethyl]aniline
CID 68982306
2-chloro-5-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]aniline
CID 62979816
5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine
CID 117038615

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[[methyl(propan-2-yl)amino]methyl]aniline?
The IUPAC name of 2,6-dichloro-4-[[methyl(propan-2-yl)amino]methyl]aniline (CID 82833176) is 2,6-dichloro-4-[[methyl(propan-2-yl)amino]methyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-[[methyl(propan-2-yl)amino]methyl]aniline?
The canonical SMILES for 2,6-dichloro-4-[[methyl(propan-2-yl)amino]methyl]aniline is CC(C)N(C)Cc1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-[[methyl(propan-2-yl)amino]methyl]aniline?
The InChIKey is JNLAYWJFRUYKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2/c1-7(2)15(3)6-8-4-9(12)11(14)10(13)5-8/h4-5,7H,6,14H2,1-3H3.
What are the key properties of 2,6-dichloro-4-[[methyl(propan-2-yl)amino]methyl]aniline?
2,6-dichloro-4-[[methyl(propan-2-yl)amino]methyl]aniline has a molecular weight of 247.17 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[[methyl(propan-2-yl)amino]methyl]aniline is sourced from PubChem (CID 82833176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).