[5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine

C17H21NOS — CID 65340174

IUPAC[5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine
SMILESCOc1ccc(CSc2cc(C)ccc2C)cc1CN
InChIInChI=1S/C17H21NOS/c1-12-4-5-13(2)17(8-12)20-11-14-6-7-16(19-3)15(9-14)10-18/h4-9H,10-11,18H2,1-3H3
InChIKeyNGEDBBAOIBJRKB-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.06
Rot. Bonds5

About [5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine

[5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine (PubChem CID 65340174) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is [5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine
PubChem CID65340174
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name[5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine
SMILESCOc1ccc(CSc2cc(C)ccc2C)cc1CN
InChIInChI=1S/C17H21NOS/c1-12-4-5-13(2)17(8-12)20-11-14-6-7-16(19-3)15(9-14)10-18/h4-9H,10-11,18H2,1-3H3
InChIKeyNGEDBBAOIBJRKB-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65340490
[5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338540
[2-methoxy-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine
CID 65340371
[5-[(4-chlorophenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine
CID 65338654
3-[(2,5-dimethylphenyl)sulfanylmethyl]-4-methoxybenzaldehyde
CID 60778710
[2-methoxy-5-[(3-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
CID 65338277
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-4-methylaniline
CID 79142232
[2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 65341080
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64650203
[3-[(2-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]methanamine
CID 64620304
5-[(2-methoxy-5-methylphenyl)methyl]-2-methylaniline
CID 82044512

Frequently Asked Questions

What is the IUPAC name of [5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine?
The IUPAC name of [5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine (CID 65340174) is [5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine.
What is the SMILES notation for [5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine?
The canonical SMILES for [5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine is COc1ccc(CSc2cc(C)ccc2C)cc1CN.
What is the InChIKey of [5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine?
The InChIKey is NGEDBBAOIBJRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-12-4-5-13(2)17(8-12)20-11-14-6-7-16(19-3)15(9-14)10-18/h4-9H,10-11,18H2,1-3H3.
What are the key properties of [5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine?
[5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine has a molecular weight of 287.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine is sourced from PubChem (CID 65340174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).