1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol

C14H21NO2S — CID 71941895

IUPAC1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol
SMILESCOc1ccc(C(O)CNC2CCSCC2)cc1
InChIInChI=1S/C14H21NO2S/c1-17-13-4-2-11(3-5-13)14(16)10-15-12-6-8-18-9-7-12/h2-5,12,14-16H,6-10H2,1H3
InChIKeyOVXQYUHQWXVTBY-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.21
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol

1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol (PubChem CID 71941895) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol
PubChem CID71941895
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol
SMILESCOc1ccc(C(O)CNC2CCSCC2)cc1
InChIInChI=1S/C14H21NO2S/c1-17-13-4-2-11(3-5-13)14(16)10-15-12-6-8-18-9-7-12/h2-5,12,14-16H,6-10H2,1H3
InChIKeyOVXQYUHQWXVTBY-UHFFFAOYSA-N
XLogP2.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
CID 62414370
2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60760718
2-[(3,4-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 64742281
2-[(3,3-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 81422251
2-[(3-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 64743967
2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol
CID 13438548
N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine
CID 81370902
2-(cyclopentylamino)-1-(3,5-dimethoxyphenyl)ethanol
CID 110922411
2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 79871773
2-hydrazinyl-1-(4-methoxyphenyl)ethanol
CID 21361112
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine
CID 43394909
1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol
CID 62775298

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol?
The IUPAC name of 1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol (CID 71941895) is 1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol is COc1ccc(C(O)CNC2CCSCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol?
The InChIKey is OVXQYUHQWXVTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-17-13-4-2-11(3-5-13)14(16)10-15-12-6-8-18-9-7-12/h2-5,12,14-16H,6-10H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol?
1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol has a molecular weight of 267.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol is sourced from PubChem (CID 71941895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).