7-fluoro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine

C16H24FNO2 — CID 114713911

IUPAC7-fluoro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CC(C(C)COC)Oc2cc(F)ccc21
InChIInChI=1S/C16H24FNO2/c1-4-7-18-14-9-15(11(2)10-19-3)20-16-8-12(17)5-6-13(14)16/h5-6,8,11,14-15,18H,4,7,9-10H2,1-3H3
InChIKeyHTUYUBSSSJXJRF-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.30
Rot. Bonds6

About 7-fluoro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine

7-fluoro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114713911) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 7-fluoro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-fluoro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114713911
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name7-fluoro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CC(C(C)COC)Oc2cc(F)ccc21
InChIInChI=1S/C16H24FNO2/c1-4-7-18-14-9-15(11(2)10-19-3)20-16-8-12(17)5-6-13(14)16/h5-6,8,11,14-15,18H,4,7,9-10H2,1-3H3
InChIKeyHTUYUBSSSJXJRF-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114711441
7-fluoro-N-methyl-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713698
(4R)-6-fluoro-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104948407
2-ethyl-6-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114710775
2-(4-bromothiophen-2-yl)-7-fluoro-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114713937
7-fluoro-N-propyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713915
(4S)-2-butan-2-yl-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947666
6-fluoro-2-phenyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114710740
6-methoxy-2-pentan-3-yl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114713104
7-fluoro-3-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114834283
7-fluoro-2-methyl-2-pentyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114713953
N-ethyl-6-methoxy-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713069

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-fluoro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine (CID 114713911) is 7-fluoro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-fluoro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-fluoro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine is CCCNC1CC(C(C)COC)Oc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is HTUYUBSSSJXJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-4-7-18-14-9-15(11(2)10-19-3)20-16-8-12(17)5-6-13(14)16/h5-6,8,11,14-15,18H,4,7,9-10H2,1-3H3.
What are the key properties of 7-fluoro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine?
7-fluoro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 281.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114713911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).