3-[2-amino-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]pyridin-4-amine

C16H19N3O — CID 65412028

IUPAC3-[2-amino-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]pyridin-4-amine
SMILESNc1ccncc1CC(N)C1CCOc2ccccc21
InChIInChI=1S/C16H19N3O/c17-14-5-7-19-10-11(14)9-15(18)12-6-8-20-16-4-2-1-3-13(12)16/h1-5,7,10,12,15H,6,8-9,18H2,(H2,17,19)
InChIKeyMFUZUELQNIOKLG-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.10
Rot. Bonds3

About 3-[2-amino-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]pyridin-4-amine

3-[2-amino-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]pyridin-4-amine (PubChem CID 65412028) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-[2-amino-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[2-amino-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]pyridin-4-amine
PubChem CID65412028
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-[2-amino-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]pyridin-4-amine
SMILESNc1ccncc1CC(N)C1CCOc2ccccc21
InChIInChI=1S/C16H19N3O/c17-14-5-7-19-10-11(14)9-15(18)12-6-8-20-16-4-2-1-3-13(12)16/h1-5,7,10,12,15H,6,8-9,18H2,(H2,17,19)
InChIKeyMFUZUELQNIOKLG-UHFFFAOYSA-N
XLogP2.10
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 65410661
2-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 65412417
1-(2,3-dihydro-1-benzofuran-3-yl)-2-pyridin-3-ylethanamine
CID 104736728
2-(3-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 79700043
3-[2-(3,4-dihydro-2H-chromen-4-yl)-2-hydrazinylethyl]pyridin-2-amine
CID 105233874
4-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-c]pyridine
CID 59291776
2-(3,4-dihydro-2H-chromen-4-yl)propan-1-ol
CID 130128093
1-(3,4-dihydro-2H-chromen-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530339
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-amine
CID 107893468
1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-4-methylpentan-1-amine
CID 103032406
(4S)-4-[(1R)-1-nitroethyl]-3,4-dihydro-2H-chromene
CID 57342248
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol
CID 79446143

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]pyridin-4-amine?
The IUPAC name of 3-[2-amino-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]pyridin-4-amine (CID 65412028) is 3-[2-amino-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-[2-amino-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 3-[2-amino-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]pyridin-4-amine is Nc1ccncc1CC(N)C1CCOc2ccccc21.
What is the InChIKey of 3-[2-amino-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]pyridin-4-amine?
The InChIKey is MFUZUELQNIOKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-14-5-7-19-10-11(14)9-15(18)12-6-8-20-16-4-2-1-3-13(12)16/h1-5,7,10,12,15H,6,8-9,18H2,(H2,17,19).
What are the key properties of 3-[2-amino-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]pyridin-4-amine?
3-[2-amino-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]pyridin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 65412028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).