6-chloro-2,2-dimethylchromen-8-amine

C11H12ClNO — CID 141005934

IUPAC6-chloro-2,2-dimethylchromen-8-amine
SMILESCC1(C)C=Cc2cc(Cl)cc(N)c2O1
InChIInChI=1S/C11H12ClNO/c1-11(2)4-3-7-5-8(12)6-9(13)10(7)14-11/h3-6H,13H2,1-2H3
InChIKeySXXGDRJULOVWAJ-UHFFFAOYSA-N
MW209.68 g/mol
LogP3.11
Rot. Bonds

About 6-chloro-2,2-dimethylchromen-8-amine

6-chloro-2,2-dimethylchromen-8-amine (PubChem CID 141005934) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 6-chloro-2,2-dimethylchromen-8-amine.

Molecular Properties

Compound Name6-chloro-2,2-dimethylchromen-8-amine
PubChem CID141005934
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name6-chloro-2,2-dimethylchromen-8-amine
SMILESCC1(C)C=Cc2cc(Cl)cc(N)c2O1
InChIInChI=1S/C11H12ClNO/c1-11(2)4-3-7-5-8(12)6-9(13)10(7)14-11/h3-6H,13H2,1-2H3
InChIKeySXXGDRJULOVWAJ-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2-dimethylchromen-8-amine?
The IUPAC name of 6-chloro-2,2-dimethylchromen-8-amine (CID 141005934) is 6-chloro-2,2-dimethylchromen-8-amine.
What is the SMILES notation for 6-chloro-2,2-dimethylchromen-8-amine?
The canonical SMILES for 6-chloro-2,2-dimethylchromen-8-amine is CC1(C)C=Cc2cc(Cl)cc(N)c2O1.
What is the InChIKey of 6-chloro-2,2-dimethylchromen-8-amine?
The InChIKey is SXXGDRJULOVWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-11(2)4-3-7-5-8(12)6-9(13)10(7)14-11/h3-6H,13H2,1-2H3.
What are the key properties of 6-chloro-2,2-dimethylchromen-8-amine?
6-chloro-2,2-dimethylchromen-8-amine has a molecular weight of 209.68 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2-dimethylchromen-8-amine is sourced from PubChem (CID 141005934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).