4-(4-methoxyphenyl)sulfanyl-2-methylbutan-2-amine

C12H19NOS — CID 117032804

IUPAC4-(4-methoxyphenyl)sulfanyl-2-methylbutan-2-amine
SMILESCOc1ccc(SCCC(C)(C)N)cc1
InChIInChI=1S/C12H19NOS/c1-12(2,13)8-9-15-11-6-4-10(14-3)5-7-11/h4-7H,8-9,13H2,1-3H3
InChIKeyFFIMKQWNXYMCHS-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.91
Rot. Bonds5

About 4-(4-methoxyphenyl)sulfanyl-2-methylbutan-2-amine

4-(4-methoxyphenyl)sulfanyl-2-methylbutan-2-amine (PubChem CID 117032804) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfanyl-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfanyl-2-methylbutan-2-amine
PubChem CID117032804
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name4-(4-methoxyphenyl)sulfanyl-2-methylbutan-2-amine
SMILESCOc1ccc(SCCC(C)(C)N)cc1
InChIInChI=1S/C12H19NOS/c1-12(2,13)8-9-15-11-6-4-10(14-3)5-7-11/h4-7H,8-9,13H2,1-3H3
InChIKeyFFIMKQWNXYMCHS-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-ethyl-5-(4-methoxyphenyl)sulfanylpentanenitrile
CID 106805172
6-(4-methoxyphenyl)sulfanyl-2,2-dimethylhexanenitrile
CID 106712580
N-[4-(3-amino-3-methylbutyl)sulfanylphenyl]acetamide
CID 117032830
1-methoxy-4-(2-phenylethylsulfanyl)benzene
CID 15739781
2-(4-methoxyphenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724032
4-(6-methoxynaphthalen-2-yl)-2-methylbutan-2-amine
CID 116924817
N'-hydroxy-3-(4-methoxyphenyl)sulfanylpropanimidamide
CID 43187755
5-(4-bromophenyl)sulfanyl-2-methylpentan-2-amine
CID 3026385
1-methoxy-4-(4-methoxy-2-methylbutan-2-yl)sulfanylbenzene
CID 86117661
4-(4-methoxyphenyl)sulfanylbutan-2-one
CID 11789059
4-(3-methoxy-3-methylbutyl)sulfanylaniline
CID 103033979
1-(4-methoxyphenoxy)-2-methylpropan-2-amine
CID 18349748

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfanyl-2-methylbutan-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)sulfanyl-2-methylbutan-2-amine (CID 117032804) is 4-(4-methoxyphenyl)sulfanyl-2-methylbutan-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfanyl-2-methylbutan-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)sulfanyl-2-methylbutan-2-amine is COc1ccc(SCCC(C)(C)N)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfanyl-2-methylbutan-2-amine?
The InChIKey is FFIMKQWNXYMCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-12(2,13)8-9-15-11-6-4-10(14-3)5-7-11/h4-7H,8-9,13H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)sulfanyl-2-methylbutan-2-amine?
4-(4-methoxyphenyl)sulfanyl-2-methylbutan-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfanyl-2-methylbutan-2-amine is sourced from PubChem (CID 117032804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).