6-fluoro-N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine

C17H24FNO2 — CID 114710536

IUPAC6-fluoro-N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCNC1CC2(CCOC(C(C)C)C2)Oc2ccc(F)cc21
InChIInChI=1S/C17H24FNO2/c1-11(2)16-10-17(6-7-20-16)9-14(19-3)13-8-12(18)4-5-15(13)21-17/h4-5,8,11,14,16,19H,6-7,9-10H2,1-3H3
InChIKeyMWONKMPLOQVNJW-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.44
Rot. Bonds2

About 6-fluoro-N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine

6-fluoro-N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (PubChem CID 114710536) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 6-fluoro-N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
PubChem CID114710536
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name6-fluoro-N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCNC1CC2(CCOC(C(C)C)C2)Oc2ccc(F)cc21
InChIInChI=1S/C17H24FNO2/c1-11(2)16-10-17(6-7-20-16)9-14(19-3)13-8-12(18)4-5-15(13)21-17/h4-5,8,11,14,16,19H,6-7,9-10H2,1-3H3
InChIKeyMWONKMPLOQVNJW-UHFFFAOYSA-N
XLogP3.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,6-dimethyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114712585
N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114712062
6-fluoro-N-methyl-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107450817
6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
CID 114710437
6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114710448
6-fluoro-N-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-amine
CID 114710439
6-fluoro-2'-propan-2-ylspiro[3H-chromene-2,4'-oxane]-4-one
CID 114672109
2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 114714890
6-chloro-2'-ethyl-N-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114711261
6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114708697
(4S)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 104945729
(4R)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 104949352

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The IUPAC name of 6-fluoro-N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (CID 114710536) is 6-fluoro-N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.
What is the SMILES notation for 6-fluoro-N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The canonical SMILES for 6-fluoro-N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is CNC1CC2(CCOC(C(C)C)C2)Oc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The InChIKey is MWONKMPLOQVNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-11(2)16-10-17(6-7-20-16)9-14(19-3)13-8-12(18)4-5-15(13)21-17/h4-5,8,11,14,16,19H,6-7,9-10H2,1-3H3.
What are the key properties of 6-fluoro-N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
6-fluoro-N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine has a molecular weight of 293.38 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is sourced from PubChem (CID 114710536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).