3,6-dichloro-2-propan-2-ylaniline

C9H11Cl2N — CID 21336280

IUPAC3,6-dichloro-2-propan-2-ylaniline
SMILESCC(C)c1c(Cl)ccc(Cl)c1N
InChIInChI=1S/C9H11Cl2N/c1-5(2)8-6(10)3-4-7(11)9(8)12/h3-5H,12H2,1-2H3
InChIKeyBEKRDUWQJLYTSZ-UHFFFAOYSA-N
MW204.10 g/mol
LogP3.70
Rot. Bonds1

About 3,6-dichloro-2-propan-2-ylaniline

3,6-dichloro-2-propan-2-ylaniline (PubChem CID 21336280) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is 3,6-dichloro-2-propan-2-ylaniline.

Molecular Properties

Compound Name3,6-dichloro-2-propan-2-ylaniline
PubChem CID21336280
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name3,6-dichloro-2-propan-2-ylaniline
SMILESCC(C)c1c(Cl)ccc(Cl)c1N
InChIInChI=1S/C9H11Cl2N/c1-5(2)8-6(10)3-4-7(11)9(8)12/h3-5H,12H2,1-2H3
InChIKeyBEKRDUWQJLYTSZ-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

1,3-dichloro-2-propan-2-ylbenzene
CID 14028117
2-chloro-6-propan-2-ylaniline
CID 18981698
1-chloro-3-methyl-2,4-di(propan-2-yl)benzene;ethane
CID 155737833
3,4,5-trichloro-2,6-di(propan-2-yl)aniline
CID 141053137
1-(3-amino-2,4-dichlorophenyl)ethanol
CID 19833113
4-chloro-2-propan-2-ylpyridin-3-amine
CID 134168279
1-(6-chloro-2,3-difluorophenyl)ethanamine
CID 130512093
1-chloro-3-methyl-2-propan-2-ylbenzene
CID 20768951
3-propan-2-ylbenzene-1,2,4-triamine
CID 66850331
2,4-dichloro-3-propan-2-ylbenzonitrile
CID 146551409
5-chloro-4-propan-2-ylisoindole-1,3-dione
CID 170676311
3,6-dichloro-2-propan-2-yl-N-prop-1-en-2-ylaniline
CID 58029390

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-propan-2-ylaniline?
The IUPAC name of 3,6-dichloro-2-propan-2-ylaniline (CID 21336280) is 3,6-dichloro-2-propan-2-ylaniline.
What is the SMILES notation for 3,6-dichloro-2-propan-2-ylaniline?
The canonical SMILES for 3,6-dichloro-2-propan-2-ylaniline is CC(C)c1c(Cl)ccc(Cl)c1N.
What is the InChIKey of 3,6-dichloro-2-propan-2-ylaniline?
The InChIKey is BEKRDUWQJLYTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N/c1-5(2)8-6(10)3-4-7(11)9(8)12/h3-5H,12H2,1-2H3.
What are the key properties of 3,6-dichloro-2-propan-2-ylaniline?
3,6-dichloro-2-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 3,6-dichloro-2-propan-2-ylaniline is sourced from PubChem (CID 21336280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).