N-[2,3-dihydrofuran-5-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine

C16H18FNOS — CID 102653025

IUPACN-[2,3-dihydrofuran-5-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C16H18FNOS/c1-2-7-18-16(13-4-3-8-19-13)15-10-11-9-12(17)5-6-14(11)20-15/h4-6,9-10,16,18H,2-3,7-8H2,1H3
InChIKeyGNKZCQOHAWIAHO-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.39
Rot. Bonds5

About N-[2,3-dihydrofuran-5-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine

N-[2,3-dihydrofuran-5-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine (PubChem CID 102653025) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2,3-dihydrofuran-5-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydrofuran-5-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine
PubChem CID102653025
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC NameN-[2,3-dihydrofuran-5-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C16H18FNOS/c1-2-7-18-16(13-4-3-8-19-13)15-10-11-9-12(17)5-6-14(11)20-15/h4-6,9-10,16,18H,2-3,7-8H2,1H3
InChIKeyGNKZCQOHAWIAHO-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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
(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
(3S,4S)-4-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)oxolan-3-amine
CID 46956016
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
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
N-[[4-fluoro-2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 62430186
[3-[(3-Ethylmorpholin-4-yl)methyl]-4-fluoro-1-benzothiophen-2-yl]methanamine
CID 62432050
[3-[(2,5-Dimethylmorpholin-4-yl)methyl]-4-fluoro-1-benzothiophen-2-yl]methanamine
CID 62432794

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydrofuran-5-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydrofuran-5-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine (CID 102653025) is N-[2,3-dihydrofuran-5-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydrofuran-5-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydrofuran-5-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine is CCCNC(C1=CCCO1)c1cc2cc(F)ccc2s1.
What is the InChIKey of N-[2,3-dihydrofuran-5-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine?
The InChIKey is GNKZCQOHAWIAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c1-2-7-18-16(13-4-3-8-19-13)15-10-11-9-12(17)5-6-14(11)20-15/h4-6,9-10,16,18H,2-3,7-8H2,1H3.
What are the key properties of N-[2,3-dihydrofuran-5-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine?
N-[2,3-dihydrofuran-5-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine has a molecular weight of 291.39 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydrofuran-5-yl-(5-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 102653025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).