[4-(2-methoxy-5-methylphenyl)sulfanylphenyl]methanamine

C15H17NOS — CID 117033206

IUPAC[4-(2-methoxy-5-methylphenyl)sulfanylphenyl]methanamine
SMILESCOc1ccc(C)cc1Sc1ccc(CN)cc1
InChIInChI=1S/C15H17NOS/c1-11-3-8-14(17-2)15(9-11)18-13-6-4-12(10-16)5-7-13/h3-9H,10,16H2,1-2H3
InChIKeyKRGKVNHABFLRSZ-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.61
Rot. Bonds4

About [4-(2-methoxy-5-methylphenyl)sulfanylphenyl]methanamine

[4-(2-methoxy-5-methylphenyl)sulfanylphenyl]methanamine (PubChem CID 117033206) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is [4-(2-methoxy-5-methylphenyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[4-(2-methoxy-5-methylphenyl)sulfanylphenyl]methanamine
PubChem CID117033206
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name[4-(2-methoxy-5-methylphenyl)sulfanylphenyl]methanamine
SMILESCOc1ccc(C)cc1Sc1ccc(CN)cc1
InChIInChI=1S/C15H17NOS/c1-11-3-8-14(17-2)15(9-11)18-13-6-4-12(10-16)5-7-13/h3-9H,10,16H2,1-2H3
InChIKeyKRGKVNHABFLRSZ-UHFFFAOYSA-N
XLogP3.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

S-(2-methoxy-5-methylphenyl)thiohydroxylamine
CID 117033753
N-[4-(aminomethyl)phenyl]-2-methoxy-5-methylaniline
CID 117027386
[2-(4-methoxyphenyl)sulfanyl-5-methylphenyl]methanamine
CID 107931436
2-(2-methoxy-5-methylphenyl)sulfanylaniline
CID 82118800
3-(2-methoxy-5-methylphenyl)sulfanylbutan-1-amine
CID 117032659
[3-chloro-4-(4-methylphenyl)sulfanylphenyl]methanamine
CID 63088855
[3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine
CID 61245088
[4-(3,4-dimethylphenyl)sulfanylphenyl]methanamine
CID 43528941
2-methoxy-1-(4-methoxyphenyl)sulfanyl-4-methylbenzene
CID 18738952
[5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine
CID 65340174
(2-methoxy-5-methylphenyl) thiohypochlorite
CID 117036074
2-(disulfanyl)-1-methoxy-4-methylbenzene
CID 117033813

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxy-5-methylphenyl)sulfanylphenyl]methanamine?
The IUPAC name of [4-(2-methoxy-5-methylphenyl)sulfanylphenyl]methanamine (CID 117033206) is [4-(2-methoxy-5-methylphenyl)sulfanylphenyl]methanamine.
What is the SMILES notation for [4-(2-methoxy-5-methylphenyl)sulfanylphenyl]methanamine?
The canonical SMILES for [4-(2-methoxy-5-methylphenyl)sulfanylphenyl]methanamine is COc1ccc(C)cc1Sc1ccc(CN)cc1.
What is the InChIKey of [4-(2-methoxy-5-methylphenyl)sulfanylphenyl]methanamine?
The InChIKey is KRGKVNHABFLRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11-3-8-14(17-2)15(9-11)18-13-6-4-12(10-16)5-7-13/h3-9H,10,16H2,1-2H3.
What are the key properties of [4-(2-methoxy-5-methylphenyl)sulfanylphenyl]methanamine?
[4-(2-methoxy-5-methylphenyl)sulfanylphenyl]methanamine has a molecular weight of 259.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxy-5-methylphenyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 117033206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).