N-ethyl-6-fluoro-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-amine

C16H22FNO2 — CID 114710684

IUPACN-ethyl-6-fluoro-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(C2CCCOC2)Oc2ccc(F)cc21
InChIInChI=1S/C16H22FNO2/c1-2-18-14-9-16(11-4-3-7-19-10-11)20-15-6-5-12(17)8-13(14)15/h5-6,8,11,14,16,18H,2-4,7,9-10H2,1H3
InChIKeyNWOLSSMXXNDQDI-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.05
Rot. Bonds3

About N-ethyl-6-fluoro-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-amine

N-ethyl-6-fluoro-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114710684) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-ethyl-6-fluoro-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-ethyl-6-fluoro-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114710684
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC NameN-ethyl-6-fluoro-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(C2CCCOC2)Oc2ccc(F)cc21
InChIInChI=1S/C16H22FNO2/c1-2-18-14-9-16(11-4-3-7-19-10-11)20-15-6-5-12(17)8-13(14)15/h5-6,8,11,14,16,18H,2-4,7,9-10H2,1H3
InChIKeyNWOLSSMXXNDQDI-UHFFFAOYSA-N
XLogP3.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114710425
6-chloro-N-ethyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114711294
2-cyclohexyl-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710547
2-cycloheptyl-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714168
2-[(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid
CID 70411227
2-(4-bromothiophen-2-yl)-N-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114710676
7-fluoro-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715803
N-ethyl-6-fluoro-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114710640
2-cyclohexyl-N-ethyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114711017
2-ethyl-6-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114710775
7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43511971
(4R)-7-methoxy-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104948605

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-fluoro-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-ethyl-6-fluoro-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-amine (CID 114710684) is N-ethyl-6-fluoro-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-ethyl-6-fluoro-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-ethyl-6-fluoro-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(C2CCCOC2)Oc2ccc(F)cc21.
What is the InChIKey of N-ethyl-6-fluoro-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is NWOLSSMXXNDQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-2-18-14-9-16(11-4-3-7-19-10-11)20-15-6-5-12(17)8-13(14)15/h5-6,8,11,14,16,18H,2-4,7,9-10H2,1H3.
What are the key properties of N-ethyl-6-fluoro-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
N-ethyl-6-fluoro-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 279.35 g/mol, XLogP of 3.05, 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-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114710684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).