N-[3,4-dihydro-2H-pyran-6-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine

C16H18FNOS — CID 102648845

IUPACN-[3,4-dihydro-2H-pyran-6-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C16H18FNOS/c1-2-18-16(13-5-3-4-8-19-13)15-10-11-9-12(17)6-7-14(11)20-15/h5-7,9-10,16,18H,2-4,8H2,1H3
InChIKeySWNBTMCBDLTTQF-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.39
Rot. Bonds4

About N-[3,4-dihydro-2H-pyran-6-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine

N-[3,4-dihydro-2H-pyran-6-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine (PubChem CID 102648845) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-6-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine
PubChem CID102648845
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C16H18FNOS/c1-2-18-16(13-5-3-4-8-19-13)15-10-11-9-12(17)6-7-14(11)20-15/h5-7,9-10,16,18H,2-4,8H2,1H3
InChIKeySWNBTMCBDLTTQF-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Benzothiophen-2-yl)-2-methoxyethan-1-amine
CID 112693350
1-(5-Fluoro-1-benzothiophen-2-yl)-2-phenylmethoxyethanamine
CID 19846325
2-[2-(1-benzothiophen-5-yl)ethoxy]-N-[(4-fluorophenyl)methyl]-N-methylethanamine
CID 22666360
N-benzyl-2-[2-(6-fluoro-1-benzothiophen-5-yl)ethoxy]-N-methylethanamine
CID 22666452
(4S)-2-(1-Benzothien-2-yl)-4-isobutyl-2-(trifluoromethyl)-1,3-oxazolidine
CID 59229662
2-(1-Benzothiophen-2-yl)-4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine
CID 68422757
N-[(5-fluoro-1-benzothiophen-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 54996870
N-[[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
CID 55073014
1-[4-fluoro-3-[(3-methylmorpholin-4-yl)methyl]-1-benzothiophen-2-yl]-N-methylmethanamine
CID 62422682
[4-Fluoro-3-[(3-methylmorpholin-4-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 62422866
N-[[2-(aminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine
CID 62425977
N-[[2-(aminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 62429835

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine (CID 102648845) is N-[3,4-dihydro-2H-pyran-6-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine is CCNC(C1=CCCCO1)c1cc2cc(F)ccc2s1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine?
The InChIKey is SWNBTMCBDLTTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c1-2-18-16(13-5-3-4-8-19-13)15-10-11-9-12(17)6-7-14(11)20-15/h5-7,9-10,16,18H,2-4,8H2,1H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine?
N-[3,4-dihydro-2H-pyran-6-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine has a molecular weight of 291.39 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-pyran-6-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 102648845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).