N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyridin-3-ylethanamine

C16H20N2S — CID 66086423

IUPACN-ethyl-2-(3-methylphenyl)sulfanyl-1-pyridin-3-ylethanamine
SMILESCCNC(CSc1cccc(C)c1)c1cccnc1
InChIInChI=1S/C16H20N2S/c1-3-18-16(14-7-5-9-17-11-14)12-19-15-8-4-6-13(2)10-15/h4-11,16,18H,3,12H2,1-2H3
InChIKeyHUYJOCSPGYUECX-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.83
Rot. Bonds6

About N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyridin-3-ylethanamine

N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyridin-3-ylethanamine (PubChem CID 66086423) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methylphenyl)sulfanyl-1-pyridin-3-ylethanamine
PubChem CID66086423
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-ethyl-2-(3-methylphenyl)sulfanyl-1-pyridin-3-ylethanamine
SMILESCCNC(CSc1cccc(C)c1)c1cccnc1
InChIInChI=1S/C16H20N2S/c1-3-18-16(14-7-5-9-17-11-14)12-19-15-8-4-6-13(2)10-15/h4-11,16,18H,3,12H2,1-2H3
InChIKeyHUYJOCSPGYUECX-UHFFFAOYSA-N
XLogP3.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine
CID 66086234
N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086617
N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine
CID 64619202
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 107560395
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 79697557
N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 64626083
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374735
N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374715
1-(2,4-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627094
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627095
N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 64628097
1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine
CID 66148934

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyridin-3-ylethanamine?
The IUPAC name of N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyridin-3-ylethanamine (CID 66086423) is N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyridin-3-ylethanamine?
The canonical SMILES for N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyridin-3-ylethanamine is CCNC(CSc1cccc(C)c1)c1cccnc1.
What is the InChIKey of N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyridin-3-ylethanamine?
The InChIKey is HUYJOCSPGYUECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-3-18-16(14-7-5-9-17-11-14)12-19-15-8-4-6-13(2)10-15/h4-11,16,18H,3,12H2,1-2H3.
What are the key properties of N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyridin-3-ylethanamine?
N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyridin-3-ylethanamine has a molecular weight of 272.42 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyridin-3-ylethanamine is sourced from PubChem (CID 66086423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).