6-chloro-4,8-dimethyl-2,3-dihydrochromen-4-amine

C11H14ClNO — CID 82194392

IUPAC6-chloro-4,8-dimethyl-2,3-dihydrochromen-4-amine
SMILESCc1cc(Cl)cc2c1OCCC2(C)N
InChIInChI=1S/C11H14ClNO/c1-7-5-8(12)6-9-10(7)14-4-3-11(9,2)13/h5-6H,3-4,13H2,1-2H3
InChIKeyWIGUEKDCXZTTTC-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.60
Rot. Bonds

About 6-chloro-4,8-dimethyl-2,3-dihydrochromen-4-amine

6-chloro-4,8-dimethyl-2,3-dihydrochromen-4-amine (PubChem CID 82194392) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 6-chloro-4,8-dimethyl-2,3-dihydrochromen-4-amine.

Molecular Properties

Compound Name6-chloro-4,8-dimethyl-2,3-dihydrochromen-4-amine
PubChem CID82194392
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name6-chloro-4,8-dimethyl-2,3-dihydrochromen-4-amine
SMILESCc1cc(Cl)cc2c1OCCC2(C)N
InChIInChI=1S/C11H14ClNO/c1-7-5-8(12)6-9-10(7)14-4-3-11(9,2)13/h5-6H,3-4,13H2,1-2H3
InChIKeyWIGUEKDCXZTTTC-UHFFFAOYSA-N
XLogP2.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-4,8-dimethyl-2,3-dihydrochromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4,8-dimethyl-2,3-dihydrochromen-4-amine?
The IUPAC name of 6-chloro-4,8-dimethyl-2,3-dihydrochromen-4-amine (CID 82194392) is 6-chloro-4,8-dimethyl-2,3-dihydrochromen-4-amine.
What is the SMILES notation for 6-chloro-4,8-dimethyl-2,3-dihydrochromen-4-amine?
The canonical SMILES for 6-chloro-4,8-dimethyl-2,3-dihydrochromen-4-amine is Cc1cc(Cl)cc2c1OCCC2(C)N.
What is the InChIKey of 6-chloro-4,8-dimethyl-2,3-dihydrochromen-4-amine?
The InChIKey is WIGUEKDCXZTTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7-5-8(12)6-9-10(7)14-4-3-11(9,2)13/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 6-chloro-4,8-dimethyl-2,3-dihydrochromen-4-amine?
6-chloro-4,8-dimethyl-2,3-dihydrochromen-4-amine has a molecular weight of 211.69 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4,8-dimethyl-2,3-dihydrochromen-4-amine is sourced from PubChem (CID 82194392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).