6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine

C15H12Cl2FNO — CID 114708988

IUPAC6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(c2ccc(F)c(Cl)c2)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H12Cl2FNO/c16-9-2-4-14-10(6-9)13(19)7-15(20-14)8-1-3-12(18)11(17)5-8/h1-6,13,15H,7,19H2
InChIKeyXPXSKMIYALIZSN-UHFFFAOYSA-N
MW312.17 g/mol
LogP4.66
Rot. Bonds1

About 6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine

6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114708988) has the molecular formula C15H12Cl2FNO and a molecular weight of 312.17 g/mol. Its IUPAC name is 6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114708988
Molecular FormulaC15H12Cl2FNO
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(c2ccc(F)c(Cl)c2)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H12Cl2FNO/c16-9-2-4-14-10(6-9)13(19)7-15(20-14)8-1-3-12(18)11(17)5-8/h1-6,13,15H,7,19H2
InChIKeyXPXSKMIYALIZSN-UHFFFAOYSA-N
XLogP4.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114708584
(4R)-6-bromo-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947442
(4R)-2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 104944930
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 114708908
(4S)-6-chloro-2-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945215
(4S)-6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945331
(4R)-6-chloro-2-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104980323
6-chloro-2-[4-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 114709061
(4S)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945210
2-(4-bromo-3-methylphenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 114708916
(4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945093
(4R)-6-chloro-2-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944920

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine (CID 114708988) is 6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine is NC1CC(c2ccc(F)c(Cl)c2)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is XPXSKMIYALIZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO/c16-9-2-4-14-10(6-9)13(19)7-15(20-14)8-1-3-12(18)11(17)5-8/h1-6,13,15H,7,19H2.
What are the key properties of 6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 312.17 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114708988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).