3-[amino(3,4-dihydro-2H-chromen-3-yl)methyl]-5-methylpyridin-2-amine

C16H19N3O — CID 65411469

IUPAC3-[amino(3,4-dihydro-2H-chromen-3-yl)methyl]-5-methylpyridin-2-amine
SMILESCc1cnc(N)c(C(N)C2COc3ccccc3C2)c1
InChIInChI=1S/C16H19N3O/c1-10-6-13(16(18)19-8-10)15(17)12-7-11-4-2-3-5-14(11)20-9-12/h2-6,8,12,15H,7,9,17H2,1H3,(H2,18,19)
InChIKeyZLQHHFHEZRPXMK-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.22
Rot. Bonds2

About 3-[amino(3,4-dihydro-2H-chromen-3-yl)methyl]-5-methylpyridin-2-amine

3-[amino(3,4-dihydro-2H-chromen-3-yl)methyl]-5-methylpyridin-2-amine (PubChem CID 65411469) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-[amino(3,4-dihydro-2H-chromen-3-yl)methyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[amino(3,4-dihydro-2H-chromen-3-yl)methyl]-5-methylpyridin-2-amine
PubChem CID65411469
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-[amino(3,4-dihydro-2H-chromen-3-yl)methyl]-5-methylpyridin-2-amine
SMILESCc1cnc(N)c(C(N)C2COc3ccccc3C2)c1
InChIInChI=1S/C16H19N3O/c1-10-6-13(16(18)19-8-10)15(17)12-7-11-4-2-3-5-14(11)20-9-12/h2-6,8,12,15H,7,9,17H2,1H3,(H2,18,19)
InChIKeyZLQHHFHEZRPXMK-UHFFFAOYSA-N
XLogP2.22
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine
CID 65411860
(2-amino-5-methyl-3-pyridinyl)-(2,3-dihydro-1H-inden-2-yl)methanol
CID 65411370
3-[amino(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]-5-methylpyridin-2-amine
CID 106601389
(4-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
CID 79601515
3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-2-amine
CID 65410111
(3-chlorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
CID 65411666
3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol
CID 65412330
(3-chloro-2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
CID 166045392
3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-4-amine
CID 65412264
(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
CID 114655766
1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanamine
CID 65409504
2-(5-bromo-2-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanamine
CID 104802615

Frequently Asked Questions

What is the IUPAC name of 3-[amino(3,4-dihydro-2H-chromen-3-yl)methyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-[amino(3,4-dihydro-2H-chromen-3-yl)methyl]-5-methylpyridin-2-amine (CID 65411469) is 3-[amino(3,4-dihydro-2H-chromen-3-yl)methyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-[amino(3,4-dihydro-2H-chromen-3-yl)methyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-[amino(3,4-dihydro-2H-chromen-3-yl)methyl]-5-methylpyridin-2-amine is Cc1cnc(N)c(C(N)C2COc3ccccc3C2)c1.
What is the InChIKey of 3-[amino(3,4-dihydro-2H-chromen-3-yl)methyl]-5-methylpyridin-2-amine?
The InChIKey is ZLQHHFHEZRPXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10-6-13(16(18)19-8-10)15(17)12-7-11-4-2-3-5-14(11)20-9-12/h2-6,8,12,15H,7,9,17H2,1H3,(H2,18,19).
What are the key properties of 3-[amino(3,4-dihydro-2H-chromen-3-yl)methyl]-5-methylpyridin-2-amine?
3-[amino(3,4-dihydro-2H-chromen-3-yl)methyl]-5-methylpyridin-2-amine has a molecular weight of 269.35 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(3,4-dihydro-2H-chromen-3-yl)methyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 65411469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).