(3S)-N-methyl-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-thiophen-2-ylpropan-1-amine

C17H22N2S — CID 137443095

IUPAC(3S)-N-methyl-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-thiophen-2-ylpropan-1-amine
SMILESCNCC[C@@H](c1cccs1)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C17H22N2S/c1-13-12-14-6-3-4-7-15(14)19(13)16(9-10-18-2)17-8-5-11-20-17/h3-8,11,13,16,18H,9-10,12H2,1-2H3/t13-,16+/m1/s1
InChIKeyKCHDXKGHPUUOMT-CJNGLKHVSA-N
MW286.44 g/mol
LogP3.85
Rot. Bonds5

About (3S)-N-methyl-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-thiophen-2-ylpropan-1-amine

(3S)-N-methyl-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-thiophen-2-ylpropan-1-amine (PubChem CID 137443095) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is (3S)-N-methyl-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name(3S)-N-methyl-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-thiophen-2-ylpropan-1-amine
PubChem CID137443095
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name(3S)-N-methyl-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-thiophen-2-ylpropan-1-amine
SMILESCNCC[C@@H](c1cccs1)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C17H22N2S/c1-13-12-14-6-3-4-7-15(14)19(13)16(9-10-18-2)17-8-5-11-20-17/h3-8,11,13,16,18H,9-10,12H2,1-2H3/t13-,16+/m1/s1
InChIKeyKCHDXKGHPUUOMT-CJNGLKHVSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-methyl-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-thiophen-2-ylpropan-1-amine with MolForge

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Related Compounds

2-(2-methyl-2,3-dihydroindol-1-yl)-1-thiophen-2-ylethanamine
CID 115287646
2-(5-bromothiophen-2-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 24703848
2-(2-methyl-2,3-dihydroindol-1-yl)-N-propan-2-ylpropan-1-amine
CID 62425147
3-(2,3-dihydroindol-1-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 137442813
(3S)-3-chloro-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 89397451
N'-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 74600564
3,3-dimethyl-1-[3-(methylamino)-1-thiophen-2-ylpropyl]-2H-indole-4-carbonitrile
CID 137452048
(3R)-3-(5-methoxy-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 137443102
N-tert-butyl-2-(2-methyl-2,3-dihydroindol-1-yl)butan-1-amine
CID 62425682
2-(3-bromophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 43184711
3-(6-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 137442779
1-(2-methyl-2,3-dihydroindol-1-yl)ethanol;3-prop-2-enoxyprop-1-ene
CID 70567742

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of (3S)-N-methyl-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-thiophen-2-ylpropan-1-amine (CID 137443095) is (3S)-N-methyl-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for (3S)-N-methyl-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for (3S)-N-methyl-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-thiophen-2-ylpropan-1-amine is CNCC[C@@H](c1cccs1)N1c2ccccc2C[C@H]1C.
What is the InChIKey of (3S)-N-methyl-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-thiophen-2-ylpropan-1-amine?
The InChIKey is KCHDXKGHPUUOMT-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H22N2S/c1-13-12-14-6-3-4-7-15(14)19(13)16(9-10-18-2)17-8-5-11-20-17/h3-8,11,13,16,18H,9-10,12H2,1-2H3/t13-,16+/m1/s1.
What are the key properties of (3S)-N-methyl-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-thiophen-2-ylpropan-1-amine?
(3S)-N-methyl-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-thiophen-2-ylpropan-1-amine has a molecular weight of 286.44 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 137443095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).