7,8-dichloro-3,4-dihydro-2H-chromen-4-amine

C9H9Cl2NO — CID 43155020

IUPAC7,8-dichloro-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CCOc2c1ccc(Cl)c2Cl
InChIInChI=1S/C9H9Cl2NO/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11/h1-2,7H,3-4,12H2
InChIKeyWUGRPYNFTPEPAC-UHFFFAOYSA-N
MW218.08 g/mol
LogP2.78
Rot. Bonds

About 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine

7,8-dichloro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43155020) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7,8-dichloro-3,4-dihydro-2H-chromen-4-amine
PubChem CID43155020
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC Name7,8-dichloro-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CCOc2c1ccc(Cl)c2Cl
InChIInChI=1S/C9H9Cl2NO/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11/h1-2,7H,3-4,12H2
InChIKeyWUGRPYNFTPEPAC-UHFFFAOYSA-N
XLogP2.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine (CID 43155020) is 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine is NC1CCOc2c1ccc(Cl)c2Cl.
What is the InChIKey of 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is WUGRPYNFTPEPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11/h1-2,7H,3-4,12H2.
What are the key properties of 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine?
7,8-dichloro-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 218.08 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43155020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).