3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol

C14H23NO2S — CID 66105221

IUPAC3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
SMILESCOc1ccc(C)cc1C(N)CSCC(C)CO
InChIInChI=1S/C14H23NO2S/c1-10-4-5-14(17-3)12(6-10)13(15)9-18-8-11(2)7-16/h4-6,11,13,16H,7-9,15H2,1-3H3
InChIKeySRRDPCOJWJNJBD-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.37
Rot. Bonds7

About 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol

3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol (PubChem CID 66105221) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
PubChem CID66105221
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
SMILESCOc1ccc(C)cc1C(N)CSCC(C)CO
InChIInChI=1S/C14H23NO2S/c1-10-4-5-14(17-3)12(6-10)13(15)9-18-8-11(2)7-16/h4-6,11,13,16H,7-9,15H2,1-3H3
InChIKeySRRDPCOJWJNJBD-UHFFFAOYSA-N
XLogP2.37
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64614931
3-[2-amino-2-(3-fluoro-4-methoxyphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
CID 107525316
1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
CID 64634603
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64650203
1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 64649874
1-(5-fluoro-2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 82770710
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64622119
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylpropylsulfanyl)ethanamine
CID 64610705
2-(3-hydroxy-2-methylpropyl)sulfanyl-1-(2-methoxy-4-methylphenyl)ethanone
CID 66102960
(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
CID 66514274

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol (CID 66105221) is 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol is COc1ccc(C)cc1C(N)CSCC(C)CO.
What is the InChIKey of 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol?
The InChIKey is SRRDPCOJWJNJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-10-4-5-14(17-3)12(6-10)13(15)9-18-8-11(2)7-16/h4-6,11,13,16H,7-9,15H2,1-3H3.
What are the key properties of 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol?
3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol has a molecular weight of 269.41 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 66105221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).