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

C17H18FNO — CID 65411667

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-1-(2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1F)C1COc2ccccc2C1
InChIInChI=1S/C17H18FNO/c1-19-17(14-7-3-4-8-15(14)18)13-10-12-6-2-5-9-16(12)20-11-13/h2-9,13,17,19H,10-11H2,1H3
InChIKeyLLERAUPCUWZXLB-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.34
Rot. Bonds3

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

1-(3,4-dihydro-2H-chromen-3-yl)-1-(2-fluorophenyl)-N-methylmethanamine (PubChem CID 65411667) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-1-(2-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-1-(2-fluorophenyl)-N-methylmethanamine
PubChem CID65411667
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-1-(2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1F)C1COc2ccccc2C1
InChIInChI=1S/C17H18FNO/c1-19-17(14-7-3-4-8-15(14)18)13-10-12-6-2-5-9-16(12)20-11-13/h2-9,13,17,19H,10-11H2,1H3
InChIKeyLLERAUPCUWZXLB-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine
CID 65409515
[(2,6-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine
CID 105233931
1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 65409900
[(3,5-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine
CID 105234024
1-(2-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424379
1-(2,4-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 65411306
1-(3,4-dihydro-2H-chromen-3-yl)-N,3-dimethylbut-2-en-1-amine
CID 79180443
3,4-dihydro-2H-chromen-3-yl-(2,3,4-trifluorophenyl)methanol
CID 65411549
1-(3,4-dihydro-2H-chromen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 65410299
4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957100
3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-2-amine
CID 65410111
[(2,5-dichlorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methyl]hydrazine
CID 105233991

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-1-(2-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-1-(2-fluorophenyl)-N-methylmethanamine (CID 65411667) is 1-(3,4-dihydro-2H-chromen-3-yl)-1-(2-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-1-(2-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-1-(2-fluorophenyl)-N-methylmethanamine is CNC(c1ccccc1F)C1COc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-1-(2-fluorophenyl)-N-methylmethanamine?
The InChIKey is LLERAUPCUWZXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-19-17(14-7-3-4-8-15(14)18)13-10-12-6-2-5-9-16(12)20-11-13/h2-9,13,17,19H,10-11H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-1-(2-fluorophenyl)-N-methylmethanamine?
1-(3,4-dihydro-2H-chromen-3-yl)-1-(2-fluorophenyl)-N-methylmethanamine has a molecular weight of 271.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-3-yl)-1-(2-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 65411667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).