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

C16H14ClF2NO — CID 104524377

IUPACN-(2-chloro-4,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCC1COc2ccccc2C1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C16H14ClF2NO/c1-9-8-21-14-5-3-2-4-11(14)15(9)20-16-12(17)6-10(18)7-13(16)19/h2-7,9,15,20H,8H2,1H3
InChIKeyBKIMFGITEIRQLQ-UHFFFAOYSA-N
MW309.74 g/mol
LogP4.80
Rot. Bonds2

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

N-(2-chloro-4,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104524377) has the molecular formula C16H14ClF2NO and a molecular weight of 309.74 g/mol. Its IUPAC name is N-(2-chloro-4,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID104524377
Molecular FormulaC16H14ClF2NO
Molecular Weight309.74 g/mol
Exact Mass309.07
IUPAC NameN-(2-chloro-4,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCC1COc2ccccc2C1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C16H14ClF2NO/c1-9-8-21-14-5-3-2-4-11(14)15(9)20-16-12(17)6-10(18)7-13(16)19/h2-7,9,15,20H,8H2,1H3
InChIKeyBKIMFGITEIRQLQ-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.74
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(2-chloro-4,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine (CID 104524377) is N-(2-chloro-4,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(2-chloro-4,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(2-chloro-4,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine is CC1COc2ccccc2C1Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is BKIMFGITEIRQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO/c1-9-8-21-14-5-3-2-4-11(14)15(9)20-16-12(17)6-10(18)7-13(16)19/h2-7,9,15,20H,8H2,1H3.
What are the key properties of N-(2-chloro-4,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine?
N-(2-chloro-4,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 309.74 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104524377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).