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

C15H12Cl2FNO — CID 43762220

IUPAC6,8-dichloro-N-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESFc1cccc(NC2CCOc3c(Cl)cc(Cl)cc32)c1
InChIInChI=1S/C15H12Cl2FNO/c16-9-6-12-14(4-5-20-15(12)13(17)7-9)19-11-3-1-2-10(18)8-11/h1-3,6-8,14,19H,4-5H2
InChIKeyUHLJSJMVSTWSCI-UHFFFAOYSA-N
MW312.17 g/mol
LogP5.07
Rot. Bonds2

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

6,8-dichloro-N-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43762220) has the molecular formula C15H12Cl2FNO and a molecular weight of 312.17 g/mol. Its IUPAC name is 6,8-dichloro-N-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6,8-dichloro-N-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43762220
Molecular FormulaC15H12Cl2FNO
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name6,8-dichloro-N-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESFc1cccc(NC2CCOc3c(Cl)cc(Cl)cc32)c1
InChIInChI=1S/C15H12Cl2FNO/c16-9-6-12-14(4-5-20-15(12)13(17)7-9)19-11-3-1-2-10(18)8-11/h1-3,6-8,14,19H,4-5H2
InChIKeyUHLJSJMVSTWSCI-UHFFFAOYSA-N
XLogP5.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.17
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,8-dichloro-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43755657
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
N-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-5-methylpyridin-3-amine
CID 107584754
8-chloro-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 60970601
6,8-dichloro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769334
6,8-dichloro-N-(4-iodo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43785265
6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 115728526
8-chloro-6-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 60970604
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-(pyridazin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106895378

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6,8-dichloro-N-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine (CID 43762220) is 6,8-dichloro-N-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6,8-dichloro-N-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6,8-dichloro-N-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine is Fc1cccc(NC2CCOc3c(Cl)cc(Cl)cc32)c1.
What is the InChIKey of 6,8-dichloro-N-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is UHLJSJMVSTWSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO/c16-9-6-12-14(4-5-20-15(12)13(17)7-9)19-11-3-1-2-10(18)8-11/h1-3,6-8,14,19H,4-5H2.
What are the key properties of 6,8-dichloro-N-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
6,8-dichloro-N-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 312.17 g/mol, XLogP of 5.07, 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-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43762220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).