N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-2-ylpropan-1-amine

C17H22N2S — CID 79217320

IUPACN-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-2-ylpropan-1-amine
SMILESCCNC(c1ccccc1SC)C(C)c1ccccn1
InChIInChI=1S/C17H22N2S/c1-4-18-17(13(2)15-10-7-8-12-19-15)14-9-5-6-11-16(14)20-3/h5-13,17-18H,4H2,1-3H3
InChIKeyREBOUQXSUIMTQN-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.26
Rot. Bonds6

About N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-2-ylpropan-1-amine

N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-2-ylpropan-1-amine (PubChem CID 79217320) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-2-ylpropan-1-amine
PubChem CID79217320
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-2-ylpropan-1-amine
SMILESCCNC(c1ccccc1SC)C(C)c1ccccn1
InChIInChI=1S/C17H22N2S/c1-4-18-17(13(2)15-10-7-8-12-19-15)14-9-5-6-11-16(14)20-3/h5-13,17-18H,4H2,1-3H3
InChIKeyREBOUQXSUIMTQN-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-2-ylpropan-1-amine 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

N-ethyl-1-(2-fluorophenyl)-2-pyridin-2-ylpropan-1-amine
CID 66447023
1-(2-bromophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66446447
1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66447218
N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-4-ylpropan-1-amine
CID 79218018
1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 106854819
1-(2,5-dichlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66446052
1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66446048
(R)-(2-methylsulfanylphenyl)-pyridin-2-ylmethanol
CID 97292943
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 81295824
1-(2-methylfuran-3-yl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66448009
1-(2-bromo-5-fluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66447432
N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine
CID 66447627

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-2-ylpropan-1-amine?
The IUPAC name of N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-2-ylpropan-1-amine (CID 79217320) is N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-2-ylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-2-ylpropan-1-amine is CCNC(c1ccccc1SC)C(C)c1ccccn1.
What is the InChIKey of N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-2-ylpropan-1-amine?
The InChIKey is REBOUQXSUIMTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-4-18-17(13(2)15-10-7-8-12-19-15)14-9-5-6-11-16(14)20-3/h5-13,17-18H,4H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-2-ylpropan-1-amine?
N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-2-ylpropan-1-amine has a molecular weight of 286.44 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 79217320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).