2-[1-(methylamino)ethyl]-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenol

C17H22N2OS — CID 79590941

IUPAC2-[1-(methylamino)ethyl]-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenol
SMILESCNC(C)c1ccc(N2CCc3sccc3C2C)cc1O
InChIInChI=1S/C17H22N2OS/c1-11(18-3)14-5-4-13(10-16(14)20)19-8-6-17-15(12(19)2)7-9-21-17/h4-5,7,9-12,18,20H,6,8H2,1-3H3
InChIKeyHKEBXJMVLQBFOY-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.86
Rot. Bonds3

About 2-[1-(methylamino)ethyl]-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenol

2-[1-(methylamino)ethyl]-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenol (PubChem CID 79590941) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-[1-(methylamino)ethyl]-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenol.

Molecular Properties

Compound Name2-[1-(methylamino)ethyl]-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenol
PubChem CID79590941
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-[1-(methylamino)ethyl]-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenol
SMILESCNC(C)c1ccc(N2CCc3sccc3C2C)cc1O
InChIInChI=1S/C17H22N2OS/c1-11(18-3)14-5-4-13(10-16(14)20)19-8-6-17-15(12(19)2)7-9-21-17/h4-5,7,9-12,18,20H,6,8H2,1-3H3
InChIKeyHKEBXJMVLQBFOY-UHFFFAOYSA-N
XLogP3.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid
CID 62136637
N-methyl-1-[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanamine
CID 62753226
N-[[2-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]ethanamine
CID 62128446
N-methyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
CID 104533834
2-chloro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide
CID 62948132
2-[1-(methylamino)ethyl]-5-(4-propan-2-ylpiperidin-1-yl)phenol
CID 103496849
2-[1-(methylamino)ethyl]-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenol
CID 114410350
2-[1-(methylamino)ethyl]-5-(3-methylsulfonylthiomorpholin-4-yl)phenol
CID 79591492
5-[4-(dimethylamino)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
CID 79600608
(1R)-1-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine
CID 55189789
3-fluoro-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
CID 55011245
5-[4-(hydroxymethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
CID 79600236

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)ethyl]-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenol?
The IUPAC name of 2-[1-(methylamino)ethyl]-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenol (CID 79590941) is 2-[1-(methylamino)ethyl]-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenol.
What is the SMILES notation for 2-[1-(methylamino)ethyl]-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenol?
The canonical SMILES for 2-[1-(methylamino)ethyl]-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenol is CNC(C)c1ccc(N2CCc3sccc3C2C)cc1O.
What is the InChIKey of 2-[1-(methylamino)ethyl]-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenol?
The InChIKey is HKEBXJMVLQBFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-11(18-3)14-5-4-13(10-16(14)20)19-8-6-17-15(12(19)2)7-9-21-17/h4-5,7,9-12,18,20H,6,8H2,1-3H3.
What are the key properties of 2-[1-(methylamino)ethyl]-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenol?
2-[1-(methylamino)ethyl]-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenol has a molecular weight of 302.44 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)ethyl]-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenol is sourced from PubChem (CID 79590941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).