2,4-dichloro-6-propan-2-ylaniline

C9H11Cl2N — CID 20689392

IUPAC2,4-dichloro-6-propan-2-ylaniline
SMILESCC(C)c1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C9H11Cl2N/c1-5(2)7-3-6(10)4-8(11)9(7)12/h3-5H,12H2,1-2H3
InChIKeyOHRXILMITIBWDH-UHFFFAOYSA-N
MW204.10 g/mol
LogP3.70
Rot. Bonds1

About 2,4-dichloro-6-propan-2-ylaniline

2,4-dichloro-6-propan-2-ylaniline (PubChem CID 20689392) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is 2,4-dichloro-6-propan-2-ylaniline.

Molecular Properties

Compound Name2,4-dichloro-6-propan-2-ylaniline
PubChem CID20689392
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name2,4-dichloro-6-propan-2-ylaniline
SMILESCC(C)c1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C9H11Cl2N/c1-5(2)7-3-6(10)4-8(11)9(7)12/h3-5H,12H2,1-2H3
InChIKeyOHRXILMITIBWDH-UHFFFAOYSA-N
XLogP3.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 53.70
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

4-chloro-2,6-di(propan-2-yl)aniline
CID 10889198
(1S,2R)-1-amino-1-(2-amino-3,5-dichlorophenyl)propan-2-ol
CID 130713041
1,5-dichloro-2-fluoro-3-propan-2-ylbenzene
CID 118361843
ethyl 2-(2-amino-3,5-dichlorophenyl)propanoate
CID 106987677
(3R)-3-amino-3-(2-amino-3,5-dichlorophenyl)propan-1-ol
CID 130692934
2-chloro-6-propan-2-ylaniline
CID 18981698
2-chloro-4-morpholin-4-yl-6-propan-2-ylaniline
CID 91671967
2-bromo-6-chloro-4-propan-2-ylaniline
CID 164890757
(1S)-1-(2,3,5-trichlorophenyl)ethanamine;hydrochloride
CID 171233500
3,5-dichlorobenzene-1,2-diamine;dihydrochloride
CID 17385558
2-N,3-N-bis[4-chloro-2,6-di(propan-2-yl)phenyl]butane-2,3-diimine
CID 102208627
4-(4-amino-3-methyl-5-propan-2-ylphenyl)-2-methyl-6-propan-2-ylaniline
CID 139432981

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-propan-2-ylaniline?
The IUPAC name of 2,4-dichloro-6-propan-2-ylaniline (CID 20689392) is 2,4-dichloro-6-propan-2-ylaniline.
What is the SMILES notation for 2,4-dichloro-6-propan-2-ylaniline?
The canonical SMILES for 2,4-dichloro-6-propan-2-ylaniline is CC(C)c1cc(Cl)cc(Cl)c1N.
What is the InChIKey of 2,4-dichloro-6-propan-2-ylaniline?
The InChIKey is OHRXILMITIBWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N/c1-5(2)7-3-6(10)4-8(11)9(7)12/h3-5H,12H2,1-2H3.
What are the key properties of 2,4-dichloro-6-propan-2-ylaniline?
2,4-dichloro-6-propan-2-ylaniline has a molecular weight of 204.10 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-propan-2-ylaniline is sourced from PubChem (CID 20689392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).