N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine

C17H22N2O — CID 80649702

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
SMILESCc1cc(C(C)NCc2cccc3c2NCC3)c(C)o1
InChIInChI=1S/C17H22N2O/c1-11-9-16(13(3)20-11)12(2)19-10-15-6-4-5-14-7-8-18-17(14)15/h4-6,9,12,18-19H,7-8,10H2,1-3H3
InChIKeyLJQZTHUHAGWJCU-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.72
Rot. Bonds4

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine

N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine (PubChem CID 80649702) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
PubChem CID80649702
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
SMILESCc1cc(C(C)NCc2cccc3c2NCC3)c(C)o1
InChIInChI=1S/C17H22N2O/c1-11-9-16(13(3)20-11)12(2)19-10-15-6-4-5-14-7-8-18-17(14)15/h4-6,9,12,18-19H,7-8,10H2,1-3H3
InChIKeyLJQZTHUHAGWJCU-UHFFFAOYSA-N
XLogP3.72
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-fluorophenyl)ethanamine
CID 80649925
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 80649541
(1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-thiophen-2-ylethanamine
CID 81398862
1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine
CID 80649791
(1S)-1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine
CID 81352928
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-2-amine
CID 80649218
(1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81382251
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-pyridin-3-ylethanamine
CID 80650370
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43121384
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methoxy-3-methylbutan-2-amine
CID 80650058
2-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]benzoic acid
CID 103246125

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine (CID 80649702) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine is Cc1cc(C(C)NCc2cccc3c2NCC3)c(C)o1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
The InChIKey is LJQZTHUHAGWJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11-9-16(13(3)20-11)12(2)19-10-15-6-4-5-14-7-8-18-17(14)15/h4-6,9,12,18-19H,7-8,10H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine is sourced from PubChem (CID 80649702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).