(2-methylsulfanylphenyl)-(2,4,5-trimethylphenyl)methanamine

C17H21NS — CID 104990698

IUPAC(2-methylsulfanylphenyl)-(2,4,5-trimethylphenyl)methanamine
SMILESCSc1ccccc1C(N)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H21NS/c1-11-9-13(3)15(10-12(11)2)17(18)14-7-5-6-8-16(14)19-4/h5-10,17H,18H2,1-4H3
InChIKeyHHUMXRPOBNWPJV-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.38
Rot. Bonds3

About (2-methylsulfanylphenyl)-(2,4,5-trimethylphenyl)methanamine

(2-methylsulfanylphenyl)-(2,4,5-trimethylphenyl)methanamine (PubChem CID 104990698) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is (2-methylsulfanylphenyl)-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name(2-methylsulfanylphenyl)-(2,4,5-trimethylphenyl)methanamine
PubChem CID104990698
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name(2-methylsulfanylphenyl)-(2,4,5-trimethylphenyl)methanamine
SMILESCSc1ccccc1C(N)c1cc(C)c(C)cc1C
InChIInChI=1S/C17H21NS/c1-11-9-13(3)15(10-12(11)2)17(18)14-7-5-6-8-16(14)19-4/h5-10,17H,18H2,1-4H3
InChIKeyHHUMXRPOBNWPJV-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-2-methylphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115852060
naphthalen-1-yl-(2,4,5-trimethylphenyl)methanamine
CID 64990309
(5-bromo-4-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanamine
CID 79991416
(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990549
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 81278893
(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115855341
(2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115853757
1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanamine
CID 117285815
1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 60727883
(2-chloro-4,5-dimethylphenyl)-(2-methylsulfanylphenyl)methanol
CID 115484546
(4-bromothiophen-3-yl)-(2-methylsulfanylphenyl)methanamine
CID 105010938
1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine
CID 104990399

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylphenyl)-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of (2-methylsulfanylphenyl)-(2,4,5-trimethylphenyl)methanamine (CID 104990698) is (2-methylsulfanylphenyl)-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for (2-methylsulfanylphenyl)-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for (2-methylsulfanylphenyl)-(2,4,5-trimethylphenyl)methanamine is CSc1ccccc1C(N)c1cc(C)c(C)cc1C.
What is the InChIKey of (2-methylsulfanylphenyl)-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is HHUMXRPOBNWPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-11-9-13(3)15(10-12(11)2)17(18)14-7-5-6-8-16(14)19-4/h5-10,17H,18H2,1-4H3.
What are the key properties of (2-methylsulfanylphenyl)-(2,4,5-trimethylphenyl)methanamine?
(2-methylsulfanylphenyl)-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 271.43 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylphenyl)-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 104990698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).