4-chloro-2,6-di(propan-2-yl)aniline

C12H18ClN — CID 10889198

IUPAC4-chloro-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cc(Cl)cc(C(C)C)c1N
InChIInChI=1S/C12H18ClN/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8H,14H2,1-4H3
InChIKeyKVCOLLORJVMSTQ-UHFFFAOYSA-N
MW211.74 g/mol
LogP4.17
Rot. Bonds2

About 4-chloro-2,6-di(propan-2-yl)aniline

4-chloro-2,6-di(propan-2-yl)aniline (PubChem CID 10889198) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 4-chloro-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound Name4-chloro-2,6-di(propan-2-yl)aniline
PubChem CID10889198
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name4-chloro-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cc(Cl)cc(C(C)C)c1N
InChIInChI=1S/C12H18ClN/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8H,14H2,1-4H3
InChIKeyKVCOLLORJVMSTQ-UHFFFAOYSA-N
XLogP4.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-6-propan-2-ylaniline
CID 20689392
2-tert-butyl-5-chloro-1,3-di(propan-2-yl)benzene
CID 135252077
bis(4-[4-amino-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)aniline);sulfur dioxide
CID 166682313
2,5-dichloro-1-methyl-3-propan-2-ylbenzene;ethane
CID 155706977
1,5-dichloro-2-fluoro-3-propan-2-ylbenzene
CID 118361843
2-(aminomethyl)-4-chloro-6-propan-2-ylphenol
CID 82265863
5-chloro-2-(2-methylpropoxy)-3-propan-2-ylaniline
CID 82552857
4-[1-[4-amino-3,5-di(propan-2-yl)phenyl]propyl]-2,6-di(propan-2-yl)aniline
CID 70421287
4-butan-2-yl-2,6-di(propan-2-yl)aniline
CID 58701369
(1S,2R)-1-amino-1-(2-amino-3,5-dichlorophenyl)propan-2-ol
CID 130713041
2-[4-chloro-2,6-di(propan-2-yl)phenyl]ethanethiol
CID 155577838
2-[4-amino-3,5-di(propan-2-yl)phenyl]propane-1,3-diol
CID 151143886

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-di(propan-2-yl)aniline?
The IUPAC name of 4-chloro-2,6-di(propan-2-yl)aniline (CID 10889198) is 4-chloro-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for 4-chloro-2,6-di(propan-2-yl)aniline?
The canonical SMILES for 4-chloro-2,6-di(propan-2-yl)aniline is CC(C)c1cc(Cl)cc(C(C)C)c1N.
What is the InChIKey of 4-chloro-2,6-di(propan-2-yl)aniline?
The InChIKey is KVCOLLORJVMSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8H,14H2,1-4H3.
What are the key properties of 4-chloro-2,6-di(propan-2-yl)aniline?
4-chloro-2,6-di(propan-2-yl)aniline has a molecular weight of 211.74 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 10889198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).