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

C16H15F2NO — CID 114709722

IUPAC2-(3,4-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)C(N)CC(c1ccc(F)c(F)c1)O2
InChIInChI=1S/C16H15F2NO/c1-9-2-5-15-11(6-9)14(19)8-16(20-15)10-3-4-12(17)13(18)7-10/h2-7,14,16H,8,19H2,1H3
InChIKeyRBJKTMVDMBAESL-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.80
Rot. Bonds1

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

2-(3,4-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114709722) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114709722
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name2-(3,4-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)C(N)CC(c1ccc(F)c(F)c1)O2
InChIInChI=1S/C16H15F2NO/c1-9-2-5-15-11(6-9)14(19)8-16(20-15)10-3-4-12(17)13(18)7-10/h2-7,14,16H,8,19H2,1H3
InChIKeyRBJKTMVDMBAESL-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(3,4-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114709722) is 2-(3,4-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine is Cc1ccc2c(c1)C(N)CC(c1ccc(F)c(F)c1)O2.
What is the InChIKey of 2-(3,4-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is RBJKTMVDMBAESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-9-2-5-15-11(6-9)14(19)8-16(20-15)10-3-4-12(17)13(18)7-10/h2-7,14,16H,8,19H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
2-(3,4-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 275.30 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114709722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).