2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine

C18H23NS — CID 66086595

IUPAC2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cccc(SCC(N)c2cc(C)c(C)cc2C)c1
InChIInChI=1S/C18H23NS/c1-12-6-5-7-16(8-12)20-11-18(19)17-10-14(3)13(2)9-15(17)4/h5-10,18H,11,19H2,1-4H3
InChIKeyILOVGGILDFYUBT-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.71
Rot. Bonds4

About 2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine

2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 66086595) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID66086595
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cccc(SCC(N)c2cc(C)c(C)cc2C)c1
InChIInChI=1S/C18H23NS/c1-12-6-5-7-16(8-12)20-11-18(19)17-10-14(3)13(2)9-15(17)4/h5-10,18H,11,19H2,1-4H3
InChIKeyILOVGGILDFYUBT-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66147252
1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66088925
1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086989
2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832948
2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine
CID 64634951
1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 82770281
1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 105395116
1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086016
ethane;1-(3-methylphenyl)sulfanylpropan-2-amine
CID 145087254
2-methylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990414
1-(2,2-difluoroethylsulfanyl)-3-methylbenzene
CID 130741881
1-(2,4-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627094

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of 2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine (CID 66086595) is 2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine is Cc1cccc(SCC(N)c2cc(C)c(C)cc2C)c1.
What is the InChIKey of 2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is ILOVGGILDFYUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-12-6-5-7-16(8-12)20-11-18(19)17-10-14(3)13(2)9-15(17)4/h5-10,18H,11,19H2,1-4H3.
What are the key properties of 2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine?
2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 285.46 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 66086595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).