(3S)-6,8-dichloro-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine

C11H13Cl2NO — CID 97356373

IUPAC(3S)-6,8-dichloro-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine
SMILESCN(C)[C@@H]1COc2c(Cl)cc(Cl)cc2C1
InChIInChI=1S/C11H13Cl2NO/c1-14(2)9-4-7-3-8(12)5-10(13)11(7)15-6-9/h3,5,9H,4,6H2,1-2H3/t9-/m0/s1
InChIKeyJSXDODZDRXZJTN-VIFPVBQESA-N
MW246.14 g/mol
LogP2.86
Rot. Bonds1

About (3S)-6,8-dichloro-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine

(3S)-6,8-dichloro-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine (PubChem CID 97356373) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is (3S)-6,8-dichloro-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3S)-6,8-dichloro-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine
PubChem CID97356373
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name(3S)-6,8-dichloro-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine
SMILESCN(C)[C@@H]1COc2c(Cl)cc(Cl)cc2C1
InChIInChI=1S/C11H13Cl2NO/c1-14(2)9-4-7-3-8(12)5-10(13)11(7)15-6-9/h3,5,9H,4,6H2,1-2H3/t9-/m0/s1
InChIKeyJSXDODZDRXZJTN-VIFPVBQESA-N
XLogP2.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-6,8-dichloro-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3S)-6,8-dichloro-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine (CID 97356373) is (3S)-6,8-dichloro-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3S)-6,8-dichloro-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3S)-6,8-dichloro-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine is CN(C)[C@@H]1COc2c(Cl)cc(Cl)cc2C1.
What is the InChIKey of (3S)-6,8-dichloro-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is JSXDODZDRXZJTN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-14(2)9-4-7-3-8(12)5-10(13)11(7)15-6-9/h3,5,9H,4,6H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-6,8-dichloro-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine?
(3S)-6,8-dichloro-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 246.14 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6,8-dichloro-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 97356373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).