1-(2,6-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine

C17H17F2NO — CID 65409515

IUPAC1-(2,6-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine
SMILESCNC(c1c(F)cccc1F)C1COc2ccccc2C1
InChIInChI=1S/C17H17F2NO/c1-20-17(16-13(18)6-4-7-14(16)19)12-9-11-5-2-3-8-15(11)21-10-12/h2-8,12,17,20H,9-10H2,1H3
InChIKeyGRLLUVCMPXZBPV-UHFFFAOYSA-N
MW289.32 g/mol
LogP3.48
Rot. Bonds3

About 1-(2,6-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine

1-(2,6-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine (PubChem CID 65409515) has the molecular formula C17H17F2NO and a molecular weight of 289.32 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine
PubChem CID65409515
Molecular FormulaC17H17F2NO
Molecular Weight289.32 g/mol
Exact Mass289.13
IUPAC Name1-(2,6-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine
SMILESCNC(c1c(F)cccc1F)C1COc2ccccc2C1
InChIInChI=1S/C17H17F2NO/c1-20-17(16-13(18)6-4-7-14(16)19)12-9-11-5-2-3-8-15(11)21-10-12/h2-8,12,17,20H,9-10H2,1H3
InChIKeyGRLLUVCMPXZBPV-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine (CID 65409515) is 1-(2,6-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine is CNC(c1c(F)cccc1F)C1COc2ccccc2C1.
What is the InChIKey of 1-(2,6-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine?
The InChIKey is GRLLUVCMPXZBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-20-17(16-13(18)6-4-7-14(16)19)12-9-11-5-2-3-8-15(11)21-10-12/h2-8,12,17,20H,9-10H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine?
1-(2,6-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine has a molecular weight of 289.32 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 65409515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).