2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine

C17H17F2NO — CID 114712486

IUPAC2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccc(F)cc2F)Oc2ccc(C)cc21
InChIInChI=1S/C17H17F2NO/c1-10-3-6-16-13(7-10)15(20-2)9-17(21-16)12-5-4-11(18)8-14(12)19/h3-8,15,17,20H,9H2,1-2H3
InChIKeyJJDXGSJQFUBXBW-UHFFFAOYSA-N
MW289.32 g/mol
LogP4.06
Rot. Bonds2

About 2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine

2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114712486) has the molecular formula C17H17F2NO and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114712486
Molecular FormulaC17H17F2NO
Molecular Weight289.32 g/mol
Exact Mass289.13
IUPAC Name2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccc(F)cc2F)Oc2ccc(C)cc21
InChIInChI=1S/C17H17F2NO/c1-10-3-6-16-13(7-10)15(20-2)9-17(21-16)12-5-4-11(18)8-14(12)19/h3-8,15,17,20H,9H2,1-2H3
InChIKeyJJDXGSJQFUBXBW-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-methylphenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710507
2-(2-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712565
2-(2-chloro-6-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712531
2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114868444
6-fluoro-2-(4-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710493
2-(4-chloro-3-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712639
6-bromo-2-(2,5-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713236
6-fluoro-2-(3-fluoro-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710423
N,6-dimethyl-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114712466
2-(2-bromophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712518
2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712476
2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710554

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine (CID 114712486) is 2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2ccc(F)cc2F)Oc2ccc(C)cc21.
What is the InChIKey of 2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is JJDXGSJQFUBXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-10-3-6-16-13(7-10)15(20-2)9-17(21-16)12-5-4-11(18)8-14(12)19/h3-8,15,17,20H,9H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine?
2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 289.32 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114712486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).