[2-(4-methoxyphenyl)sulfanyl-5-methylphenyl]methanamine

C15H17NOS — CID 107931436

IUPAC[2-(4-methoxyphenyl)sulfanyl-5-methylphenyl]methanamine
SMILESCOc1ccc(Sc2ccc(C)cc2CN)cc1
InChIInChI=1S/C15H17NOS/c1-11-3-8-15(12(9-11)10-16)18-14-6-4-13(17-2)5-7-14/h3-9H,10,16H2,1-2H3
InChIKeyVENYZMKYELJVMJ-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.61
Rot. Bonds4

About [2-(4-methoxyphenyl)sulfanyl-5-methylphenyl]methanamine

[2-(4-methoxyphenyl)sulfanyl-5-methylphenyl]methanamine (PubChem CID 107931436) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)sulfanyl-5-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)sulfanyl-5-methylphenyl]methanamine
PubChem CID107931436
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name[2-(4-methoxyphenyl)sulfanyl-5-methylphenyl]methanamine
SMILESCOc1ccc(Sc2ccc(C)cc2CN)cc1
InChIInChI=1S/C15H17NOS/c1-11-3-8-15(12(9-11)10-16)18-14-6-4-13(17-2)5-7-14/h3-9H,10,16H2,1-2H3
InChIKeyVENYZMKYELJVMJ-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

2-methoxy-1-(4-methoxyphenyl)sulfanyl-4-methylbenzene
CID 18738952
2-(4-methoxyphenyl)sulfanyl-5-methylbenzonitrile
CID 114017345
[4-(2-methoxy-5-methylphenyl)sulfanylphenyl]methanamine
CID 117033206
[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine
CID 107931496
2-[5-amino-2-(4-methoxyphenyl)sulfanylphenyl]acetic acid
CID 91880029
[5-methyl-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine
CID 107931460
(5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride
CID 66876860
1-[5-chloro-2-(4-methoxyphenyl)sulfanylphenyl]propan-2-amine
CID 114865963
[2-(2-bromophenyl)sulfanyl-5-methylphenyl]methanamine
CID 107931418
1-[4-(2,4-dimethylphenyl)sulfanylphenyl]-3-(4-methoxyphenyl)thiourea
CID 18226262
4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene
CID 91877415
[5-methyl-2-(4-methylsulfanylphenyl)sulfanylphenyl]methanol
CID 54147084

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)sulfanyl-5-methylphenyl]methanamine?
The IUPAC name of [2-(4-methoxyphenyl)sulfanyl-5-methylphenyl]methanamine (CID 107931436) is [2-(4-methoxyphenyl)sulfanyl-5-methylphenyl]methanamine.
What is the SMILES notation for [2-(4-methoxyphenyl)sulfanyl-5-methylphenyl]methanamine?
The canonical SMILES for [2-(4-methoxyphenyl)sulfanyl-5-methylphenyl]methanamine is COc1ccc(Sc2ccc(C)cc2CN)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)sulfanyl-5-methylphenyl]methanamine?
The InChIKey is VENYZMKYELJVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11-3-8-15(12(9-11)10-16)18-14-6-4-13(17-2)5-7-14/h3-9H,10,16H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)sulfanyl-5-methylphenyl]methanamine?
[2-(4-methoxyphenyl)sulfanyl-5-methylphenyl]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 [2-(4-methoxyphenyl)sulfanyl-5-methylphenyl]methanamine is sourced from PubChem (CID 107931436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).