1-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanamine

C16H18FNO2S — CID 64621439

IUPAC1-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanamine
SMILESCOc1ccc(OC)c(C(N)CSc2ccccc2F)c1
InChIInChI=1S/C16H18FNO2S/c1-19-11-7-8-15(20-2)12(9-11)14(18)10-21-16-6-4-3-5-13(16)17/h3-9,14H,10,18H2,1-2H3
InChIKeyOMZONCWMPXGYLD-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.63
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanamine

1-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanamine (PubChem CID 64621439) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanamine
PubChem CID64621439
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanamine
SMILESCOc1ccc(OC)c(C(N)CSc2ccccc2F)c1
InChIInChI=1S/C16H18FNO2S/c1-19-11-7-8-15(20-2)12(9-11)14(18)10-21-16-6-4-3-5-13(16)17/h3-9,14H,10,18H2,1-2H3
InChIKeyOMZONCWMPXGYLD-UHFFFAOYSA-N
XLogP3.63
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine
CID 66053846
1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64647733
1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 64649874
1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64625639
1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64628304
2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
CID 66072926
1-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377522
1-(2,5-dimethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927992
1-(2,5-dimethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 64627526
1-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 104604552
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64650203
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanamine (CID 64621439) is 1-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanamine is COc1ccc(OC)c(C(N)CSc2ccccc2F)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanamine?
The InChIKey is OMZONCWMPXGYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-19-11-7-8-15(20-2)12(9-11)14(18)10-21-16-6-4-3-5-13(16)17/h3-9,14H,10,18H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanamine?
1-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanamine has a molecular weight of 307.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanamine is sourced from PubChem (CID 64621439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).