1-(2,3-dihydro-1H-indol-7-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine

C15H18N2S — CID 80649049

IUPAC1-(2,3-dihydro-1H-indol-7-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccc(CNCc2cccc3c2NCC3)s1
InChIInChI=1S/C15H18N2S/c1-11-5-6-14(18-11)10-16-9-13-4-2-3-12-7-8-17-15(12)13/h2-6,16-17H,7-10H2,1H3
InChIKeyIBADSCUOOSTCGS-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.31
Rot. Bonds4

About 1-(2,3-dihydro-1H-indol-7-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine

1-(2,3-dihydro-1H-indol-7-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine (PubChem CID 80649049) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-7-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-7-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
PubChem CID80649049
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name1-(2,3-dihydro-1H-indol-7-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccc(CNCc2cccc3c2NCC3)s1
InChIInChI=1S/C15H18N2S/c1-11-5-6-14(18-11)10-16-9-13-4-2-3-12-7-8-17-15(12)13/h2-6,16-17H,7-10H2,1H3
InChIKeyIBADSCUOOSTCGS-UHFFFAOYSA-N
XLogP3.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-7-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1H-indol-7-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine (CID 80649049) is 1-(2,3-dihydro-1H-indol-7-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-7-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-7-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine is Cc1ccc(CNCc2cccc3c2NCC3)s1.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-7-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
The InChIKey is IBADSCUOOSTCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11-5-6-14(18-11)10-16-9-13-4-2-3-12-7-8-17-15(12)13/h2-6,16-17H,7-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-7-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine?
1-(2,3-dihydro-1H-indol-7-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine has a molecular weight of 258.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-7-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 80649049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).