2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methylphenyl)ethanamine

C16H16N2OS — CID 64647808

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)CSc1nc2ccccc2o1
InChIInChI=1S/C16H16N2OS/c1-11-6-2-3-7-12(11)13(17)10-20-16-18-14-8-4-5-9-15(14)19-16/h2-9,13H,10,17H2,1H3
InChIKeyWSFBDECRSDVMTQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.93
Rot. Bonds4

About 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methylphenyl)ethanamine

2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methylphenyl)ethanamine (PubChem CID 64647808) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methylphenyl)ethanamine
PubChem CID64647808
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)CSc1nc2ccccc2o1
InChIInChI=1S/C16H16N2OS/c1-11-6-2-3-7-12(11)13(17)10-20-16-18-14-8-4-5-9-15(14)19-16/h2-9,13H,10,17H2,1H3
InChIKeyWSFBDECRSDVMTQ-UHFFFAOYSA-N
XLogP3.93
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,5-dimethylphenyl)ethanamine
CID 64648005
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanamine
CID 64650155
2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanamine
CID 55241119
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanamine
CID 64650543
2-amino-3-(1,3-benzoxazol-2-ylsulfanyl)propan-1-ol
CID 64805983
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 51140242
3-(1,3-benzoxazol-2-ylsulfanyl)-2-(methylamino)propan-1-ol
CID 64805790
1-(1,3-benzoxazol-2-ylsulfanyl)-3-methoxypropan-2-ol
CID 5333015
2-(3,3-dimethylbutylsulfanyl)-1,3-benzoxazole
CID 69292158
2-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpropan-1-amine
CID 104523422
1-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylmethanamine
CID 119085238
4-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylbutane-1,3-diol
CID 23928188

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methylphenyl)ethanamine (CID 64647808) is 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methylphenyl)ethanamine is Cc1ccccc1C(N)CSc1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methylphenyl)ethanamine?
The InChIKey is WSFBDECRSDVMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-6-2-3-7-12(11)13(17)10-20-16-18-14-8-4-5-9-15(14)19-16/h2-9,13H,10,17H2,1H3.
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methylphenyl)ethanamine?
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methylphenyl)ethanamine has a molecular weight of 284.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 64647808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).