2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine

C16H18FNOS — CID 66053846

IUPAC2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine
SMILESCOc1ccc(C(N)CSc2ccccc2F)c(C)c1
InChIInChI=1S/C16H18FNOS/c1-11-9-12(19-2)7-8-13(11)15(18)10-20-16-6-4-3-5-14(16)17/h3-9,15H,10,18H2,1-2H3
InChIKeyDRBMNGPFFLIRHZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.93
Rot. Bonds5

About 2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine

2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine (PubChem CID 66053846) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine
PubChem CID66053846
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC Name2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine
SMILESCOc1ccc(C(N)CSc2ccccc2F)c(C)c1
InChIInChI=1S/C16H18FNOS/c1-11-9-12(19-2)7-8-13(11)15(18)10-20-16-6-4-3-5-14(16)17/h3-9,15H,10,18H2,1-2H3
InChIKeyDRBMNGPFFLIRHZ-UHFFFAOYSA-N
XLogP3.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanamine
CID 64621439
2-(4-bromophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine
CID 66054705
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792
(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 171233415
1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786
1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093283
(3S)-3-amino-3-(4-methoxy-2-methylphenyl)propanenitrile
CID 131124943
1-(4-methoxy-2-methylphenyl)hexan-1-amine
CID 43125402
(1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride
CID 171233420
1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethanol
CID 66052290
2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine
CID 105115241
1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 66096733

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine (CID 66053846) is 2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine is COc1ccc(C(N)CSc2ccccc2F)c(C)c1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine?
The InChIKey is DRBMNGPFFLIRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c1-11-9-12(19-2)7-8-13(11)15(18)10-20-16-6-4-3-5-14(16)17/h3-9,15H,10,18H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine?
2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine has a molecular weight of 291.39 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine is sourced from PubChem (CID 66053846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).