3-methoxy-N-(1-methylsulfanylpropan-2-yl)aniline

C11H17NOS — CID 68822883

IUPAC3-methoxy-N-(1-methylsulfanylpropan-2-yl)aniline
SMILESCOc1cccc(NC(C)CSC)c1
InChIInChI=1S/C11H17NOS/c1-9(8-14-3)12-10-5-4-6-11(7-10)13-2/h4-7,9,12H,8H2,1-3H3
InChIKeyVXDIEJQSXZPXEK-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.86
Rot. Bonds5

About 3-methoxy-N-(1-methylsulfanylpropan-2-yl)aniline

3-methoxy-N-(1-methylsulfanylpropan-2-yl)aniline (PubChem CID 68822883) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-methoxy-N-(1-methylsulfanylpropan-2-yl)aniline.

Molecular Properties

Compound Name3-methoxy-N-(1-methylsulfanylpropan-2-yl)aniline
PubChem CID68822883
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name3-methoxy-N-(1-methylsulfanylpropan-2-yl)aniline
SMILESCOc1cccc(NC(C)CSC)c1
InChIInChI=1S/C11H17NOS/c1-9(8-14-3)12-10-5-4-6-11(7-10)13-2/h4-7,9,12H,8H2,1-3H3
InChIKeyVXDIEJQSXZPXEK-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 28548125
3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline
CID 93283290
N-[(2S)-3,3-dimethylbutan-2-yl]-3-methoxyaniline
CID 143680816
3-ethoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 60936370
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
N-(1-cyclopropylethyl)-3-methoxyaniline
CID 43196364
N-hexan-3-yl-3-methoxyaniline
CID 115916725
2-methylpropan-2-yl 3-(3-methoxyanilino)butanoate
CID 140522672
2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide
CID 43112828
3-ethoxy-N-[(2R)-pentan-2-yl]aniline
CID 93363089
2-(3-methoxyanilino)-4-methylpentanenitrile
CID 60990472

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(1-methylsulfanylpropan-2-yl)aniline?
The IUPAC name of 3-methoxy-N-(1-methylsulfanylpropan-2-yl)aniline (CID 68822883) is 3-methoxy-N-(1-methylsulfanylpropan-2-yl)aniline.
What is the SMILES notation for 3-methoxy-N-(1-methylsulfanylpropan-2-yl)aniline?
The canonical SMILES for 3-methoxy-N-(1-methylsulfanylpropan-2-yl)aniline is COc1cccc(NC(C)CSC)c1.
What is the InChIKey of 3-methoxy-N-(1-methylsulfanylpropan-2-yl)aniline?
The InChIKey is VXDIEJQSXZPXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9(8-14-3)12-10-5-4-6-11(7-10)13-2/h4-7,9,12H,8H2,1-3H3.
What are the key properties of 3-methoxy-N-(1-methylsulfanylpropan-2-yl)aniline?
3-methoxy-N-(1-methylsulfanylpropan-2-yl)aniline has a molecular weight of 211.33 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(1-methylsulfanylpropan-2-yl)aniline is sourced from PubChem (CID 68822883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).