(1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-1-amine

C17H22N2S — CID 103958758

IUPAC(1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1N1CCc2sccc2C1C
InChIInChI=1S/C17H22N2S/c1-3-15(18)14-6-4-5-7-16(14)19-10-8-17-13(12(19)2)9-11-20-17/h4-7,9,11-12,15H,3,8,10,18H2,1-2H3/t12?,15-/m1/s1
InChIKeyVBIUZRZTVPIYEI-WPZCJLIBSA-N
MW286.44 g/mol
LogP4.28
Rot. Bonds3

About (1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-1-amine

(1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-1-amine (PubChem CID 103958758) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is (1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-1-amine
PubChem CID103958758
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name(1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1N1CCc2sccc2C1C
InChIInChI=1S/C17H22N2S/c1-3-15(18)14-6-4-5-7-16(14)19-10-8-17-13(12(19)2)9-11-20-17/h4-7,9,11-12,15H,3,8,10,18H2,1-2H3/t12?,15-/m1/s1
InChIKeyVBIUZRZTVPIYEI-WPZCJLIBSA-N
XLogP4.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine
CID 55189789
N-methyl-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine
CID 55009024
4-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
CID 62590534
[2-fluoro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine
CID 79517021
3-fluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
CID 55011052
(1R)-1-[3-chloro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine
CID 63368949
4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
CID 55011051
(1R)-1-[2-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 103958582
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-thiophen-2-ylethanamine
CID 115287790
3-fluoro-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
CID 55011245
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]propan-1-amine
CID 112678184
2-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide
CID 62496189

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-1-amine (CID 103958758) is (1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-1-amine is CC[C@@H](N)c1ccccc1N1CCc2sccc2C1C.
What is the InChIKey of (1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-1-amine?
The InChIKey is VBIUZRZTVPIYEI-WPZCJLIBSA-N. The full InChI is InChI=1S/C17H22N2S/c1-3-15(18)14-6-4-5-7-16(14)19-10-8-17-13(12(19)2)9-11-20-17/h4-7,9,11-12,15H,3,8,10,18H2,1-2H3/t12?,15-/m1/s1.
What are the key properties of (1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-1-amine?
(1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-1-amine has a molecular weight of 286.44 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]propan-1-amine is sourced from PubChem (CID 103958758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).