(1S)-1-(3-methylthiophen-2-yl)-N-[(S)-phenyl(pyridin-2-yl)methyl]ethanamine

C19H20N2S — CID 97073226

IUPAC(1S)-1-(3-methylthiophen-2-yl)-N-[(S)-phenyl(pyridin-2-yl)methyl]ethanamine
SMILESCc1ccsc1[C@H](C)N[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C19H20N2S/c1-14-11-13-22-19(14)15(2)21-18(16-8-4-3-5-9-16)17-10-6-7-12-20-17/h3-13,15,18,21H,1-2H3/t15-,18-/m0/s1
InChIKeyGOHNSRLAWFUMIQ-YJBOKZPZSA-N
MW308.45 g/mol
LogP4.89
Rot. Bonds5

About (1S)-1-(3-methylthiophen-2-yl)-N-[(S)-phenyl(pyridin-2-yl)methyl]ethanamine

(1S)-1-(3-methylthiophen-2-yl)-N-[(S)-phenyl(pyridin-2-yl)methyl]ethanamine (PubChem CID 97073226) has the molecular formula C19H20N2S and a molecular weight of 308.45 g/mol. Its IUPAC name is (1S)-1-(3-methylthiophen-2-yl)-N-[(S)-phenyl(pyridin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-methylthiophen-2-yl)-N-[(S)-phenyl(pyridin-2-yl)methyl]ethanamine
PubChem CID97073226
Molecular FormulaC19H20N2S
Molecular Weight308.45 g/mol
Exact Mass308.13
IUPAC Name(1S)-1-(3-methylthiophen-2-yl)-N-[(S)-phenyl(pyridin-2-yl)methyl]ethanamine
SMILESCc1ccsc1[C@H](C)N[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C19H20N2S/c1-14-11-13-22-19(14)15(2)21-18(16-8-4-3-5-9-16)17-10-6-7-12-20-17/h3-13,15,18,21H,1-2H3/t15-,18-/m0/s1
InChIKeyGOHNSRLAWFUMIQ-YJBOKZPZSA-N
XLogP4.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-(3-methylthiophen-2-yl)-N-[(S)-phenyl(pyridin-2-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-N-[phenyl(pyridin-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 81389419
(3-methylthiophen-2-yl)-pyridin-2-ylmethanamine
CID 79989254
2-(3-methylthiophen-2-yl)-2-pyridin-2-ylacetic acid
CID 116824724
N-[1-(3-methylthiophen-2-yl)ethyl]pyridin-2-amine
CID 115916926
N-[cyclopropyl(phenyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 63993444
3-ethyl-N-[phenyl(pyridin-2-yl)methyl]pentan-2-amine
CID 63842105
(2R)-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]propanamide
CID 34156658
(2R)-3-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]butan-1-ol
CID 68622948
(1R)-1-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 81389751
2-[(3-methylthiophen-2-yl)-piperidin-4-ylmethyl]pyridine
CID 175066665
1-(3-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 63993212
4-methyl-N-[phenyl(pyridin-2-yl)methyl]pyridin-3-amine
CID 63329354

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methylthiophen-2-yl)-N-[(S)-phenyl(pyridin-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(3-methylthiophen-2-yl)-N-[(S)-phenyl(pyridin-2-yl)methyl]ethanamine (CID 97073226) is (1S)-1-(3-methylthiophen-2-yl)-N-[(S)-phenyl(pyridin-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-methylthiophen-2-yl)-N-[(S)-phenyl(pyridin-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(3-methylthiophen-2-yl)-N-[(S)-phenyl(pyridin-2-yl)methyl]ethanamine is Cc1ccsc1[C@H](C)N[C@@H](c1ccccc1)c1ccccn1.
What is the InChIKey of (1S)-1-(3-methylthiophen-2-yl)-N-[(S)-phenyl(pyridin-2-yl)methyl]ethanamine?
The InChIKey is GOHNSRLAWFUMIQ-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H20N2S/c1-14-11-13-22-19(14)15(2)21-18(16-8-4-3-5-9-16)17-10-6-7-12-20-17/h3-13,15,18,21H,1-2H3/t15-,18-/m0/s1.
What are the key properties of (1S)-1-(3-methylthiophen-2-yl)-N-[(S)-phenyl(pyridin-2-yl)methyl]ethanamine?
(1S)-1-(3-methylthiophen-2-yl)-N-[(S)-phenyl(pyridin-2-yl)methyl]ethanamine has a molecular weight of 308.45 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-methylthiophen-2-yl)-N-[(S)-phenyl(pyridin-2-yl)methyl]ethanamine is sourced from PubChem (CID 97073226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).