2-methyl-6-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]aniline

C15H24N2OS — CID 79146733

IUPAC2-methyl-6-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]aniline
SMILESCc1cccc(SCC2CN(C(C)C)CCO2)c1N
InChIInChI=1S/C15H24N2OS/c1-11(2)17-7-8-18-13(9-17)10-19-14-6-4-5-12(3)15(14)16/h4-6,11,13H,7-10,16H2,1-3H3
InChIKeyJJOSAMOGNYQITE-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.78
Rot. Bonds4

About 2-methyl-6-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]aniline

2-methyl-6-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]aniline (PubChem CID 79146733) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-methyl-6-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]aniline.

Molecular Properties

Compound Name2-methyl-6-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]aniline
PubChem CID79146733
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-methyl-6-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]aniline
SMILESCc1cccc(SCC2CN(C(C)C)CCO2)c1N
InChIInChI=1S/C15H24N2OS/c1-11(2)17-7-8-18-13(9-17)10-19-14-6-4-5-12(3)15(14)16/h4-6,11,13H,7-10,16H2,1-3H3
InChIKeyJJOSAMOGNYQITE-UHFFFAOYSA-N
XLogP2.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]aniline
CID 79146285
2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 103432287
3-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]benzoic acid
CID 64535093
4-propan-2-yl-5-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-amine
CID 64534933
2-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-amine
CID 64534932
2-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]-1,3-benzothiazol-6-amine
CID 64532760
2-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline
CID 81191559
2-(cyclobutylmethylsulfanyl)-6-methylaniline
CID 79146458
4-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]butan-2-amine
CID 66233245
(1R)-1-(2-methylphenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 81374031
3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde
CID 115955541
2-[(4-propan-2-ylmorpholin-2-yl)methylsulfonyl]aniline
CID 64532962

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]aniline?
The IUPAC name of 2-methyl-6-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]aniline (CID 79146733) is 2-methyl-6-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]aniline.
What is the SMILES notation for 2-methyl-6-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]aniline?
The canonical SMILES for 2-methyl-6-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]aniline is Cc1cccc(SCC2CN(C(C)C)CCO2)c1N.
What is the InChIKey of 2-methyl-6-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]aniline?
The InChIKey is JJOSAMOGNYQITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-11(2)17-7-8-18-13(9-17)10-19-14-6-4-5-12(3)15(14)16/h4-6,11,13H,7-10,16H2,1-3H3.
What are the key properties of 2-methyl-6-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]aniline?
2-methyl-6-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]aniline has a molecular weight of 280.44 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]aniline is sourced from PubChem (CID 79146733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).