N-[[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine

C16H19FN2S — CID 107557641

IUPACN-[[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(CN2CCc3ccc(F)cc32)s1
InChIInChI=1S/C16H19FN2S/c1-2-18-10-14-5-6-15(20-14)11-19-8-7-12-3-4-13(17)9-16(12)19/h3-6,9,18H,2,7-8,10-11H2,1H3
InChIKeyDSQGDWMBHCPNLE-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.56
Rot. Bonds5

About N-[[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine

N-[[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine (PubChem CID 107557641) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine
PubChem CID107557641
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC NameN-[[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(CN2CCc3ccc(F)cc32)s1
InChIInChI=1S/C16H19FN2S/c1-2-18-10-14-5-6-15(20-14)11-19-8-7-12-3-4-13(17)9-16(12)19/h3-6,9,18H,2,7-8,10-11H2,1H3
InChIKeyDSQGDWMBHCPNLE-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenyl]methyl]ethanamine
CID 103503085
N-[(5-chlorothiophen-2-yl)methyl]-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103503388
(E)-3-[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-2-yl]prop-2-enoic acid
CID 103501685
N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine
CID 103494949
N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103502305
1-[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 103503080
5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 103502310
N-[[1-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 103503117
N-[[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 103502519
5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid
CID 103503739
2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
CID 103501934
methyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate
CID 103501861

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine (CID 107557641) is N-[[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine is CCNCc1ccc(CN2CCc3ccc(F)cc32)s1.
What is the InChIKey of N-[[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine?
The InChIKey is DSQGDWMBHCPNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2S/c1-2-18-10-14-5-6-15(20-14)11-19-8-7-12-3-4-13(17)9-16(12)19/h3-6,9,18H,2,7-8,10-11H2,1H3.
What are the key properties of N-[[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine?
N-[[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine has a molecular weight of 290.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 107557641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).