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

C16H14Cl2FNO — CID 63477888

IUPAC6,8-dichloro-N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc(NC2CCOc3c(Cl)cc(Cl)cc32)ccc1F
InChIInChI=1S/C16H14Cl2FNO/c1-9-6-11(2-3-14(9)19)20-15-4-5-21-16-12(15)7-10(17)8-13(16)18/h2-3,6-8,15,20H,4-5H2,1H3
InChIKeyYOYDZRGNLNQXDB-UHFFFAOYSA-N
MW326.20 g/mol
LogP5.38
Rot. Bonds2

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

6,8-dichloro-N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 63477888) has the molecular formula C16H14Cl2FNO and a molecular weight of 326.20 g/mol. Its IUPAC name is 6,8-dichloro-N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6,8-dichloro-N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID63477888
Molecular FormulaC16H14Cl2FNO
Molecular Weight326.20 g/mol
Exact Mass325.04
IUPAC Name6,8-dichloro-N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc(NC2CCOc3c(Cl)cc(Cl)cc32)ccc1F
InChIInChI=1S/C16H14Cl2FNO/c1-9-6-11(2-3-14(9)19)20-15-4-5-21-16-12(15)7-10(17)8-13(16)18/h2-3,6-8,15,20H,4-5H2,1H3
InChIKeyYOYDZRGNLNQXDB-UHFFFAOYSA-N
XLogP5.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.20
LogP ≤ 55.38
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-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43762220
6,8-dichloro-N-(4-iodo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43785265
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-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 61014453
N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 60888947
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
6,8-dichloro-N-(2-cyclopropyloxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 103905846
methyl 2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylpropanoate
CID 43787215

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6,8-dichloro-N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 63477888) is 6,8-dichloro-N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6,8-dichloro-N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6,8-dichloro-N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is Cc1cc(NC2CCOc3c(Cl)cc(Cl)cc32)ccc1F.
What is the InChIKey of 6,8-dichloro-N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is YOYDZRGNLNQXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO/c1-9-6-11(2-3-14(9)19)20-15-4-5-21-16-12(15)7-10(17)8-13(16)18/h2-3,6-8,15,20H,4-5H2,1H3.
What are the key properties of 6,8-dichloro-N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
6,8-dichloro-N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 326.20 g/mol, XLogP of 5.38, 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-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 63477888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).