N-ethyl-6-fluoro-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine

C16H17FN2O — CID 114710640

IUPACN-ethyl-6-fluoro-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2cccnc2)Oc2ccc(F)cc21
InChIInChI=1S/C16H17FN2O/c1-2-19-14-9-16(11-4-3-7-18-10-11)20-15-6-5-12(17)8-13(14)15/h3-8,10,14,16,19H,2,9H2,1H3
InChIKeyRRAXONXLKPRNQE-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.40
Rot. Bonds3

About N-ethyl-6-fluoro-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine

N-ethyl-6-fluoro-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114710640) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-ethyl-6-fluoro-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-ethyl-6-fluoro-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114710640
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-ethyl-6-fluoro-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2cccnc2)Oc2ccc(F)cc21
InChIInChI=1S/C16H17FN2O/c1-2-19-14-9-16(11-4-3-7-18-10-11)20-15-6-5-12(17)8-13(14)15/h3-8,10,14,16,19H,2,9H2,1H3
InChIKeyRRAXONXLKPRNQE-UHFFFAOYSA-N
XLogP3.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N-propyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713915
6-fluoro-2-phenyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114710740
6-chloro-N-methyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114711145
6-bromo-2-(5-bromo-3-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713385
N-ethyl-6-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114712742
2-(4-bromothiophen-2-yl)-N-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114710676
6-fluoro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114710798
6-fluoro-N-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114710538
N-ethyl-6-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114713010
7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114711759
6-fluoro-2-(4-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710493
6-fluoro-2-(3-methylimidazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114710770

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-fluoro-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-ethyl-6-fluoro-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine (CID 114710640) is N-ethyl-6-fluoro-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-ethyl-6-fluoro-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-ethyl-6-fluoro-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(c2cccnc2)Oc2ccc(F)cc21.
What is the InChIKey of N-ethyl-6-fluoro-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is RRAXONXLKPRNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-2-19-14-9-16(11-4-3-7-18-10-11)20-15-6-5-12(17)8-13(14)15/h3-8,10,14,16,19H,2,9H2,1H3.
What are the key properties of N-ethyl-6-fluoro-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine?
N-ethyl-6-fluoro-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 272.32 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-fluoro-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114710640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).