2-methoxybenzenethiol;2-[(4-methylphenyl)methyl]morpholine

C19H25NO2S — CID 142864910

IUPAC2-methoxybenzenethiol;2-[(4-methylphenyl)methyl]morpholine
SMILESCOc1ccccc1S.Cc1ccc(CC2CNCCO2)cc1
InChIInChI=1S/C12H17NO.C7H8OS/c1-10-2-4-11(5-3-10)8-12-9-13-6-7-14-12;1-8-6-4-2-3-5-7(6)9/h2-5,12-13H,6-9H2,1H3;2-5,9H,1H3
InChIKeyUZPFSIQYAZSOFL-UHFFFAOYSA-N
MW331.48 g/mol
LogP3.51
Rot. Bonds3

About 2-methoxybenzenethiol;2-[(4-methylphenyl)methyl]morpholine

2-methoxybenzenethiol;2-[(4-methylphenyl)methyl]morpholine (PubChem CID 142864910) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is 2-methoxybenzenethiol;2-[(4-methylphenyl)methyl]morpholine.

Molecular Properties

Compound Name2-methoxybenzenethiol;2-[(4-methylphenyl)methyl]morpholine
PubChem CID142864910
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC Name2-methoxybenzenethiol;2-[(4-methylphenyl)methyl]morpholine
SMILESCOc1ccccc1S.Cc1ccc(CC2CNCCO2)cc1
InChIInChI=1S/C12H17NO.C7H8OS/c1-10-2-4-11(5-3-10)8-12-9-13-6-7-14-12;1-8-6-4-2-3-5-7(6)9/h2-5,12-13H,6-9H2,1H3;2-5,9H,1H3
InChIKeyUZPFSIQYAZSOFL-UHFFFAOYSA-N
XLogP3.51
TPSA30.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(2-methoxyphenyl)methyl]morpholine
CID 58689699
(2R)-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]morpholine
CID 11565325
2-benzylmorpholine;2-(trifluoromethyl)benzenethiol
CID 142864888
2-[(6-methylnaphthalen-2-yl)methyl]morpholine
CID 116927898
[4-(morpholin-2-ylmethyl)phenyl]methanamine
CID 174949580
2-[(4-bromophenyl)methyl]morpholine
CID 66730468
2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]methyl]morpholine
CID 67073483
4-methoxy-2-(morpholin-2-ylmethyl)naphthalen-1-ol
CID 70584076
2-[(3,4-diethoxyphenyl)methyl]morpholine
CID 116989260
2-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-oxazepane
CID 90877171
2-morpholin-2-ylethanol;toluene
CID 118211589
4-methoxy-3-(morpholin-2-ylmethyl)aniline;hydrochloride
CID 70130204

Frequently Asked Questions

What is the IUPAC name of 2-methoxybenzenethiol;2-[(4-methylphenyl)methyl]morpholine?
The IUPAC name of 2-methoxybenzenethiol;2-[(4-methylphenyl)methyl]morpholine (CID 142864910) is 2-methoxybenzenethiol;2-[(4-methylphenyl)methyl]morpholine.
What is the SMILES notation for 2-methoxybenzenethiol;2-[(4-methylphenyl)methyl]morpholine?
The canonical SMILES for 2-methoxybenzenethiol;2-[(4-methylphenyl)methyl]morpholine is COc1ccccc1S.Cc1ccc(CC2CNCCO2)cc1.
What is the InChIKey of 2-methoxybenzenethiol;2-[(4-methylphenyl)methyl]morpholine?
The InChIKey is UZPFSIQYAZSOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C7H8OS/c1-10-2-4-11(5-3-10)8-12-9-13-6-7-14-12;1-8-6-4-2-3-5-7(6)9/h2-5,12-13H,6-9H2,1H3;2-5,9H,1H3.
What are the key properties of 2-methoxybenzenethiol;2-[(4-methylphenyl)methyl]morpholine?
2-methoxybenzenethiol;2-[(4-methylphenyl)methyl]morpholine has a molecular weight of 331.48 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxybenzenethiol;2-[(4-methylphenyl)methyl]morpholine is sourced from PubChem (CID 142864910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).