N-[(6-fluoro-2-methylchromen-2-yl)methyl]-1-pyridin-4-ylmethanamine

C17H17FN2O — CID 50939433

IUPACN-[(6-fluoro-2-methylchromen-2-yl)methyl]-1-pyridin-4-ylmethanamine
SMILESCC1(CNCc2ccncc2)C=Cc2cc(F)ccc2O1
InChIInChI=1S/C17H17FN2O/c1-17(12-20-11-13-5-8-19-9-6-13)7-4-14-10-15(18)2-3-16(14)21-17/h2-10,20H,11-12H2,1H3
InChIKeyCZCIGHOFYMJOAV-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.17
Rot. Bonds4

About N-[(6-fluoro-2-methylchromen-2-yl)methyl]-1-pyridin-4-ylmethanamine

N-[(6-fluoro-2-methylchromen-2-yl)methyl]-1-pyridin-4-ylmethanamine (PubChem CID 50939433) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is N-[(6-fluoro-2-methylchromen-2-yl)methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(6-fluoro-2-methylchromen-2-yl)methyl]-1-pyridin-4-ylmethanamine
PubChem CID50939433
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC NameN-[(6-fluoro-2-methylchromen-2-yl)methyl]-1-pyridin-4-ylmethanamine
SMILESCC1(CNCc2ccncc2)C=Cc2cc(F)ccc2O1
InChIInChI=1S/C17H17FN2O/c1-17(12-20-11-13-5-8-19-9-6-13)7-4-14-10-15(18)2-3-16(14)21-17/h2-10,20H,11-12H2,1H3
InChIKeyCZCIGHOFYMJOAV-UHFFFAOYSA-N
XLogP3.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 61044403
4-fluoro-2-methyl-N-(pyridin-4-ylmethyl)aniline
CID 792097
N-[(4-fluoro-2-methylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 62134095
1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea
CID 46182038
4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol
CID 78928948
8-fluoro-3-methyl-10,10-dioxo-N-(pyridin-4-ylmethyl)phenoxathiine-2-sulfonamide
CID 69165873
2,2,2-trifluoro-N-(pyridin-4-ylmethyl)ethanamine
CID 24704089
1-(4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724392
N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 54943545
N-[(2,5-difluorophenyl)methyl]-2-pyridin-4-ylethanamine
CID 54944073
N-[(1-methylsulfanylcyclopropyl)methyl]-1-pyridin-4-ylmethanamine
CID 107267578
5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 82539421

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-2-methylchromen-2-yl)methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[(6-fluoro-2-methylchromen-2-yl)methyl]-1-pyridin-4-ylmethanamine (CID 50939433) is N-[(6-fluoro-2-methylchromen-2-yl)methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[(6-fluoro-2-methylchromen-2-yl)methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[(6-fluoro-2-methylchromen-2-yl)methyl]-1-pyridin-4-ylmethanamine is CC1(CNCc2ccncc2)C=Cc2cc(F)ccc2O1.
What is the InChIKey of N-[(6-fluoro-2-methylchromen-2-yl)methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is CZCIGHOFYMJOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-17(12-20-11-13-5-8-19-9-6-13)7-4-14-10-15(18)2-3-16(14)21-17/h2-10,20H,11-12H2,1H3.
What are the key properties of N-[(6-fluoro-2-methylchromen-2-yl)methyl]-1-pyridin-4-ylmethanamine?
N-[(6-fluoro-2-methylchromen-2-yl)methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 284.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-2-methylchromen-2-yl)methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 50939433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).