N-[(4-ethylsulfanylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine

C18H24N2S — CID 106849296

IUPACN-[(4-ethylsulfanylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(SCC)cc1)c1ccc(C)nc1
InChIInChI=1S/C18H24N2S/c1-4-12-19-18(16-7-6-14(3)20-13-16)15-8-10-17(11-9-15)21-5-2/h6-11,13,18-19H,4-5,12H2,1-3H3
InChIKeyYOWMSMYYRMRSQS-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.59
Rot. Bonds7

About N-[(4-ethylsulfanylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine

N-[(4-ethylsulfanylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 106849296) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-[(4-ethylsulfanylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylsulfanylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID106849296
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC NameN-[(4-ethylsulfanylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(SCC)cc1)c1ccc(C)nc1
InChIInChI=1S/C18H24N2S/c1-4-12-19-18(16-7-6-14(3)20-13-16)15-8-10-17(11-9-15)21-5-2/h6-11,13,18-19H,4-5,12H2,1-3H3
InChIKeyYOWMSMYYRMRSQS-UHFFFAOYSA-N
XLogP4.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 63155815
N,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline
CID 105146242
N-[(3-bromo-4-chlorophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115567849
N-[(3-chloro-4-fluorophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 63155972
N-[(2-iodophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854533
N-[(5-chloro-2-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854575
N-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 106849348
N-[2-(4-chlorophenyl)sulfanyl-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66143609
N-[2-(4-bromophenyl)sulfanyl-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66056115
N-[(2,6-difluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854881
3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 63155465
N-[(6-methyl-3-pyridinyl)-(4-propylphenyl)methyl]ethanamine
CID 105144382

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylsulfanylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-ethylsulfanylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine (CID 106849296) is N-[(4-ethylsulfanylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-ethylsulfanylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-ethylsulfanylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1ccc(SCC)cc1)c1ccc(C)nc1.
What is the InChIKey of N-[(4-ethylsulfanylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is YOWMSMYYRMRSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-4-12-19-18(16-7-6-14(3)20-13-16)15-8-10-17(11-9-15)21-5-2/h6-11,13,18-19H,4-5,12H2,1-3H3.
What are the key properties of N-[(4-ethylsulfanylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine?
N-[(4-ethylsulfanylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 300.47 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylsulfanylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 106849296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).