2-(4-methoxy-3-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine

C14H23NOS — CID 116853493

IUPAC2-(4-methoxy-3-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine
SMILESCOc1ccc(SC(C)(C)CN)cc1C(C)C
InChIInChI=1S/C14H23NOS/c1-10(2)12-8-11(6-7-13(12)16-5)17-14(3,4)9-15/h6-8,10H,9,15H2,1-5H3
InChIKeyVHXOZTKWJPOTGB-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.65
Rot. Bonds5

About 2-(4-methoxy-3-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine

2-(4-methoxy-3-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine (PubChem CID 116853493) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-(4-methoxy-3-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-methoxy-3-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine
PubChem CID116853493
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-(4-methoxy-3-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine
SMILESCOc1ccc(SC(C)(C)CN)cc1C(C)C
InChIInChI=1S/C14H23NOS/c1-10(2)12-8-11(6-7-13(12)16-5)17-14(3,4)9-15/h6-8,10H,9,15H2,1-5H3
InChIKeyVHXOZTKWJPOTGB-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853482
2-(2-methoxy-5-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853494
2-(5-chloro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853484
N'-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199779
2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-ol
CID 116852264
2-(5-fluoro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853483
1-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylbutane-1,4-diamine
CID 116934464
1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine
CID 116830269
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
3-N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-3-methylbutane-1,3-diamine
CID 115134689
3-methoxy-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-amine
CID 112510134
3-(4-methoxy-3-methylphenyl)sulfanyl-2,2-dimethylpropan-1-amine
CID 117032776

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine?
The IUPAC name of 2-(4-methoxy-3-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine (CID 116853493) is 2-(4-methoxy-3-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine.
What is the SMILES notation for 2-(4-methoxy-3-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine?
The canonical SMILES for 2-(4-methoxy-3-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine is COc1ccc(SC(C)(C)CN)cc1C(C)C.
What is the InChIKey of 2-(4-methoxy-3-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine?
The InChIKey is VHXOZTKWJPOTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-10(2)12-8-11(6-7-13(12)16-5)17-14(3,4)9-15/h6-8,10H,9,15H2,1-5H3.
What are the key properties of 2-(4-methoxy-3-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine?
2-(4-methoxy-3-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-propan-2-ylphenyl)sulfanyl-2-methylpropan-1-amine is sourced from PubChem (CID 116853493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).