3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine

C15H15FN2O — CID 114745984

IUPAC3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine
SMILESNC(c1ccncc1F)c1cccc2c1OCCC2
InChIInChI=1S/C15H15FN2O/c16-13-9-18-7-6-11(13)14(17)12-5-1-3-10-4-2-8-19-15(10)12/h1,3,5-7,9,14H,2,4,8,17H2
InChIKeyWOJSCILUPFGWCZ-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.59
Rot. Bonds2

About 3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine

3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine (PubChem CID 114745984) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine
PubChem CID114745984
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine
SMILESNC(c1ccncc1F)c1cccc2c1OCCC2
InChIInChI=1S/C15H15FN2O/c16-13-9-18-7-6-11(13)14(17)12-5-1-3-10-4-2-8-19-15(10)12/h1,3,5-7,9,14H,2,4,8,17H2
InChIKeyWOJSCILUPFGWCZ-UHFFFAOYSA-N
XLogP2.59
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromen-8-yl(pyridin-3-yl)methanamine
CID 114744886
(2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745341
3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methanamine
CID 114744922
3,4-dihydro-2H-chromen-8-yl(pyrimidin-4-yl)methanamine
CID 114745377
3,4-dihydro-2H-chromen-8-yl(1,3-thiazol-5-yl)methanamine
CID 114745898
(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745207
(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 107995512
(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114744841
2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine
CID 105053341
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 107969236
(3,5-dichloro-2-pyridinyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745822
(2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038410

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine (CID 114745984) is 3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine is NC(c1ccncc1F)c1cccc2c1OCCC2.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine?
The InChIKey is WOJSCILUPFGWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-13-9-18-7-6-11(13)14(17)12-5-1-3-10-4-2-8-19-15(10)12/h1,3,5-7,9,14H,2,4,8,17H2.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine?
3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine has a molecular weight of 258.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine is sourced from PubChem (CID 114745984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).