1-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]ethanamine;hydrochloride

C20H20ClF2NOS — CID 51114898

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]ethanamine;hydrochloride
SMILESCOc1ccc(C(C)NCc2ccc(-c3ccccc3F)s2)cc1F.Cl
InChIInChI=1S/C20H19F2NOS.ClH/c1-13(14-7-9-19(24-2)18(22)11-14)23-12-15-8-10-20(25-15)16-5-3-4-6-17(16)21;/h3-11,13,23H,12H2,1-2H3;1H
InChIKeyHFIKUJVXJCHIHR-UHFFFAOYSA-N
MW395.90 g/mol
LogP5.97
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]ethanamine;hydrochloride

1-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]ethanamine;hydrochloride (PubChem CID 51114898) has the molecular formula C20H20ClF2NOS and a molecular weight of 395.90 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]ethanamine;hydrochloride
PubChem CID51114898
Molecular FormulaC20H20ClF2NOS
Molecular Weight395.90 g/mol
Exact Mass395.09
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]ethanamine;hydrochloride
SMILESCOc1ccc(C(C)NCc2ccc(-c3ccccc3F)s2)cc1F.Cl
InChIInChI=1S/C20H19F2NOS.ClH/c1-13(14-7-9-19(24-2)18(22)11-14)23-12-15-8-10-20(25-15)16-5-3-4-6-17(16)21;/h3-11,13,23H,12H2,1-2H3;1H
InChIKeyHFIKUJVXJCHIHR-UHFFFAOYSA-N
XLogP5.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.90
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]ethanamine
CID 51114899
1-(3-fluoro-4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60777008
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43225807
1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine
CID 24704421
(2R)-2-[[5-(2-fluorophenyl)thiophen-2-yl]methylamino]-3-methylbutanoic acid
CID 120511126
1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 47010201
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
N-[(5-bromofuran-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43225812
5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79611660
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 55257635
1-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60976045
(2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906950

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]ethanamine;hydrochloride?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]ethanamine;hydrochloride (CID 51114898) is 1-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]ethanamine;hydrochloride?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]ethanamine;hydrochloride is COc1ccc(C(C)NCc2ccc(-c3ccccc3F)s2)cc1F.Cl.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]ethanamine;hydrochloride?
The InChIKey is HFIKUJVXJCHIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NOS.ClH/c1-13(14-7-9-19(24-2)18(22)11-14)23-12-15-8-10-20(25-15)16-5-3-4-6-17(16)21;/h3-11,13,23H,12H2,1-2H3;1H.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]ethanamine;hydrochloride?
1-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]ethanamine;hydrochloride has a molecular weight of 395.90 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 51114898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).