2-chloro-6-propan-2-ylaniline

C9H12ClN — CID 18981698

IUPAC2-chloro-6-propan-2-ylaniline
SMILESCC(C)c1cccc(Cl)c1N
InChIInChI=1S/C9H12ClN/c1-6(2)7-4-3-5-8(10)9(7)11/h3-6H,11H2,1-2H3
InChIKeyCWTJQUNXOVZQJF-UHFFFAOYSA-N
MW169.66 g/mol
LogP3.05
Rot. Bonds1

About 2-chloro-6-propan-2-ylaniline

2-chloro-6-propan-2-ylaniline (PubChem CID 18981698) has the molecular formula C9H12ClN and a molecular weight of 169.66 g/mol. Its IUPAC name is 2-chloro-6-propan-2-ylaniline.

Molecular Properties

Compound Name2-chloro-6-propan-2-ylaniline
PubChem CID18981698
Molecular FormulaC9H12ClN
Molecular Weight169.66 g/mol
Exact Mass169.07
IUPAC Name2-chloro-6-propan-2-ylaniline
SMILESCC(C)c1cccc(Cl)c1N
InChIInChI=1S/C9H12ClN/c1-6(2)7-4-3-5-8(10)9(7)11/h3-6H,11H2,1-2H3
InChIKeyCWTJQUNXOVZQJF-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.66
LogP ≤ 53.05
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

(1R)-1-amino-1-(2-amino-3-chlorophenyl)propan-2-ol
CID 130643010
2-chloro-6-(difluoromethyl)aniline
CID 84656251
2-(1-amino-2,2-dimethylpropyl)-6-chloroaniline
CID 130043324
2-methyl-6-propan-2-ylaniline
CID 162117439
1-(2-amino-3-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 105467275
2-methyl-6-propan-2-ylaniline;hydrofluoride
CID 174802119
1-N,1-N-dimethyl-3-propan-2-ylbenzene-1,2-diamine
CID 131190038
1-chloro-2-methylsulfanyl-3-propan-2-ylbenzene
CID 142329867
1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene
CID 169127619
1-N-methyl-3-propan-2-ylbenzene-1,2-diamine
CID 66917218
2-[amino-(1-methyl-2,5-dihydropyrrol-3-yl)methyl]-6-chloroaniline
CID 168941492
2,4-dichloro-6-propan-2-ylaniline
CID 20689392

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-propan-2-ylaniline?
The IUPAC name of 2-chloro-6-propan-2-ylaniline (CID 18981698) is 2-chloro-6-propan-2-ylaniline.
What is the SMILES notation for 2-chloro-6-propan-2-ylaniline?
The canonical SMILES for 2-chloro-6-propan-2-ylaniline is CC(C)c1cccc(Cl)c1N.
What is the InChIKey of 2-chloro-6-propan-2-ylaniline?
The InChIKey is CWTJQUNXOVZQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN/c1-6(2)7-4-3-5-8(10)9(7)11/h3-6H,11H2,1-2H3.
What are the key properties of 2-chloro-6-propan-2-ylaniline?
2-chloro-6-propan-2-ylaniline has a molecular weight of 169.66 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-propan-2-ylaniline is sourced from PubChem (CID 18981698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).