N-[2-(7-fluoro-3-methyl-2,4-dihydrochromen-3-yl)ethyl]-N-methylpropan-1-amine

C16H24FNO — CID 143286328

IUPACN-[2-(7-fluoro-3-methyl-2,4-dihydrochromen-3-yl)ethyl]-N-methylpropan-1-amine
SMILESCCCN(C)CCC1(C)COc2cc(F)ccc2C1
InChIInChI=1S/C16H24FNO/c1-4-8-18(3)9-7-16(2)11-13-5-6-14(17)10-15(13)19-12-16/h5-6,10H,4,7-9,11-12H2,1-3H3
InChIKeyAICCWOLIZURVEU-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.50
Rot. Bonds5

About N-[2-(7-fluoro-3-methyl-2,4-dihydrochromen-3-yl)ethyl]-N-methylpropan-1-amine

N-[2-(7-fluoro-3-methyl-2,4-dihydrochromen-3-yl)ethyl]-N-methylpropan-1-amine (PubChem CID 143286328) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[2-(7-fluoro-3-methyl-2,4-dihydrochromen-3-yl)ethyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(7-fluoro-3-methyl-2,4-dihydrochromen-3-yl)ethyl]-N-methylpropan-1-amine
PubChem CID143286328
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[2-(7-fluoro-3-methyl-2,4-dihydrochromen-3-yl)ethyl]-N-methylpropan-1-amine
SMILESCCCN(C)CCC1(C)COc2cc(F)ccc2C1
InChIInChI=1S/C16H24FNO/c1-4-8-18(3)9-7-16(2)11-13-5-6-14(17)10-15(13)19-12-16/h5-6,10H,4,7-9,11-12H2,1-3H3
InChIKeyAICCWOLIZURVEU-UHFFFAOYSA-N
XLogP3.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoro-3-methyl-2,4-dihydrochromen-3-yl)ethyl]-N-methylpropan-1-amine?
The IUPAC name of N-[2-(7-fluoro-3-methyl-2,4-dihydrochromen-3-yl)ethyl]-N-methylpropan-1-amine (CID 143286328) is N-[2-(7-fluoro-3-methyl-2,4-dihydrochromen-3-yl)ethyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[2-(7-fluoro-3-methyl-2,4-dihydrochromen-3-yl)ethyl]-N-methylpropan-1-amine?
The canonical SMILES for N-[2-(7-fluoro-3-methyl-2,4-dihydrochromen-3-yl)ethyl]-N-methylpropan-1-amine is CCCN(C)CCC1(C)COc2cc(F)ccc2C1.
What is the InChIKey of N-[2-(7-fluoro-3-methyl-2,4-dihydrochromen-3-yl)ethyl]-N-methylpropan-1-amine?
The InChIKey is AICCWOLIZURVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-4-8-18(3)9-7-16(2)11-13-5-6-14(17)10-15(13)19-12-16/h5-6,10H,4,7-9,11-12H2,1-3H3.
What are the key properties of N-[2-(7-fluoro-3-methyl-2,4-dihydrochromen-3-yl)ethyl]-N-methylpropan-1-amine?
N-[2-(7-fluoro-3-methyl-2,4-dihydrochromen-3-yl)ethyl]-N-methylpropan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-fluoro-3-methyl-2,4-dihydrochromen-3-yl)ethyl]-N-methylpropan-1-amine is sourced from PubChem (CID 143286328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).