(2-methyl-4-methylsulfanylphenyl)methanamine

C9H13NS — CID 63814506

IUPAC(2-methyl-4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(CN)c(C)c1
InChIInChI=1S/C9H13NS/c1-7-5-9(11-2)4-3-8(7)6-10/h3-5H,6,10H2,1-2H3
InChIKeyXNQJVHWGHVUBHK-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.18
Rot. Bonds2

About (2-methyl-4-methylsulfanylphenyl)methanamine

(2-methyl-4-methylsulfanylphenyl)methanamine (PubChem CID 63814506) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (2-methyl-4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(2-methyl-4-methylsulfanylphenyl)methanamine
PubChem CID63814506
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(2-methyl-4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(CN)c(C)c1
InChIInChI=1S/C9H13NS/c1-7-5-9(11-2)4-3-8(7)6-10/h3-5H,6,10H2,1-2H3
InChIKeyXNQJVHWGHVUBHK-UHFFFAOYSA-N
XLogP2.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-fluorophenyl)sulfanyl-2-methylphenyl]methanamine
CID 63804900
(2,4-dimethylphenyl)methanamine;propane
CID 143780972
(E)-3-(2-methyl-4-methylsulfanylphenyl)prop-2-en-1-amine
CID 117284218
[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-methylphenyl]methanamine
CID 115479928
3-(2-methyl-4-methylsulfanylphenyl)butan-1-amine
CID 117299558
2-methyl-5-methylsulfanylaniline
CID 62911126
(4-bromo-2-methylphenyl)methanamine;methanol
CID 142518771
[2-methyl-4-(2-methylsulfanylphenoxy)phenyl]methanamine
CID 63647338
2-(bromomethyl)-5-methylsulfanylaniline
CID 91881538
(2-methyl-4-propylphenyl)methanamine
CID 86664509
[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]methanamine
CID 114060188
2-fluoro-1-methyl-4-methylsulfanylbenzene
CID 53414492

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-methylsulfanylphenyl)methanamine?
The IUPAC name of (2-methyl-4-methylsulfanylphenyl)methanamine (CID 63814506) is (2-methyl-4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for (2-methyl-4-methylsulfanylphenyl)methanamine?
The canonical SMILES for (2-methyl-4-methylsulfanylphenyl)methanamine is CSc1ccc(CN)c(C)c1.
What is the InChIKey of (2-methyl-4-methylsulfanylphenyl)methanamine?
The InChIKey is XNQJVHWGHVUBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-7-5-9(11-2)4-3-8(7)6-10/h3-5H,6,10H2,1-2H3.
What are the key properties of (2-methyl-4-methylsulfanylphenyl)methanamine?
(2-methyl-4-methylsulfanylphenyl)methanamine has a molecular weight of 167.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 63814506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).