1-(2,3-dihydro-1H-indol-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine

C16H20N2S — CID 80567468

IUPAC1-(2,3-dihydro-1H-indol-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
SMILESCc1cc(CNCC2Cc3ccccc3N2)sc1C
InChIInChI=1S/C16H20N2S/c1-11-7-15(19-12(11)2)10-17-9-14-8-13-5-3-4-6-16(13)18-14/h3-7,14,17-18H,8-10H2,1-2H3
InChIKeyAAICTGYUCMBSCG-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.49
Rot. Bonds4

About 1-(2,3-dihydro-1H-indol-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine

1-(2,3-dihydro-1H-indol-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine (PubChem CID 80567468) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
PubChem CID80567468
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name1-(2,3-dihydro-1H-indol-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
SMILESCc1cc(CNCC2Cc3ccccc3N2)sc1C
InChIInChI=1S/C16H20N2S/c1-11-7-15(19-12(11)2)10-17-9-14-8-13-5-3-4-6-16(13)18-14/h3-7,14,17-18H,8-10H2,1-2H3
InChIKeyAAICTGYUCMBSCG-UHFFFAOYSA-N
XLogP3.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.49
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-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1H-indol-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine (CID 80567468) is 1-(2,3-dihydro-1H-indol-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine is Cc1cc(CNCC2Cc3ccccc3N2)sc1C.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine?
The InChIKey is AAICTGYUCMBSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-11-7-15(19-12(11)2)10-17-9-14-8-13-5-3-4-6-16(13)18-14/h3-7,14,17-18H,8-10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine?
1-(2,3-dihydro-1H-indol-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine has a molecular weight of 272.42 g/mol, XLogP of 3.49, 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-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 80567468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).