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

C16H15Cl2NO — CID 43755657

IUPAC6,8-dichloro-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cccc(NC2CCOc3c(Cl)cc(Cl)cc32)c1
InChIInChI=1S/C16H15Cl2NO/c1-10-3-2-4-12(7-10)19-15-5-6-20-16-13(15)8-11(17)9-14(16)18/h2-4,7-9,15,19H,5-6H2,1H3
InChIKeyGQLYEMKHBQGRPL-UHFFFAOYSA-N
MW308.21 g/mol
LogP5.24
Rot. Bonds2

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

6,8-dichloro-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43755657) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 6,8-dichloro-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6,8-dichloro-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43755657
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name6,8-dichloro-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cccc(NC2CCOc3c(Cl)cc(Cl)cc32)c1
InChIInChI=1S/C16H15Cl2NO/c1-10-3-2-4-12(7-10)19-15-5-6-20-16-13(15)8-11(17)9-14(16)18/h2-4,7-9,15,19H,5-6H2,1H3
InChIKeyGQLYEMKHBQGRPL-UHFFFAOYSA-N
XLogP5.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.21
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,8-dichloro-N-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43762220
N-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-5-methylpyridin-3-amine
CID 107584754
6,8-dichloro-N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 63477888
6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43758747
6,8-dichloro-N-(4-iodo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43785265
6,8-dichloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 61014453
methyl 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylpropanoate
CID 43787215
6,8-dichloro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769334
6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 115728526
N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 60888947
6,8-dichloro-N-(2-cyclopropyloxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 103905846
6,8-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 61016507

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6,8-dichloro-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 43755657) is 6,8-dichloro-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6,8-dichloro-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6,8-dichloro-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is Cc1cccc(NC2CCOc3c(Cl)cc(Cl)cc32)c1.
What is the InChIKey of 6,8-dichloro-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is GQLYEMKHBQGRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-10-3-2-4-12(7-10)19-15-5-6-20-16-13(15)8-11(17)9-14(16)18/h2-4,7-9,15,19H,5-6H2,1H3.
What are the key properties of 6,8-dichloro-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
6,8-dichloro-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 308.21 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43755657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).