2-[4-[[5-(2,4-difluorophenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine

C21H21F2NS — CID 144794912

IUPAC2-[4-[[5-(2,4-difluorophenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine
SMILESCc1cc(Cc2csc(-c3ccc(F)cc3F)c2)c(C)cc1CCN
InChIInChI=1S/C21H21F2NS/c1-13-8-17(14(2)7-16(13)5-6-24)9-15-10-21(25-12-15)19-4-3-18(22)11-20(19)23/h3-4,7-8,10-12H,5-6,9,24H2,1-2H3
InChIKeyAZKSIKNSYPVFAN-UHFFFAOYSA-N
MW357.47 g/mol
LogP5.40
Rot. Bonds5

About 2-[4-[[5-(2,4-difluorophenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine

2-[4-[[5-(2,4-difluorophenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine (PubChem CID 144794912) has the molecular formula C21H21F2NS and a molecular weight of 357.47 g/mol. Its IUPAC name is 2-[4-[[5-(2,4-difluorophenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[[5-(2,4-difluorophenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine
PubChem CID144794912
Molecular FormulaC21H21F2NS
Molecular Weight357.47 g/mol
Exact Mass357.14
IUPAC Name2-[4-[[5-(2,4-difluorophenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine
SMILESCc1cc(Cc2csc(-c3ccc(F)cc3F)c2)c(C)cc1CCN
InChIInChI=1S/C21H21F2NS/c1-13-8-17(14(2)7-16(13)5-6-24)9-15-10-21(25-12-15)19-4-3-18(22)11-20(19)23/h3-4,7-8,10-12H,5-6,9,24H2,1-2H3
InChIKeyAZKSIKNSYPVFAN-UHFFFAOYSA-N
XLogP5.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.47
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[[5-(2,4-difluorophenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine with MolForge

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Related Compounds

(3S)-N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine;hydrochloride
CID 44569433
(3R)-N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine;hydrochloride
CID 44569431
(4R)-N-methyl-4-naphthalen-1-yl-4-thiophen-2-ylbutan-1-amine;hydrochloride
CID 44569435
(4S)-N-methyl-4-naphthalen-1-yl-4-thiophen-2-ylbutan-1-amine;hydrochloride
CID 44569437
1-(5,6,7,8-Tetrahydronaphthalen-2-yl)-1-(thiophen-2-yl)methanamine
CID 16227043
N-methyl-2-(naphthalen-2-yl)-3-(thiophen-2-yl)propan-1-amine
CID 86288525
(2S)-N-methyl-3-(5-methylthiophen-2-yl)-2-naphthalen-2-ylpropan-1-amine
CID 86288601
N-methyl-3-(5-methylthiophen-2-yl)-2-naphthalen-2-ylpropan-1-amine
CID 117605014
2-[(2,5-Dimethylphenyl)methyl]-5-(4-fluorophenyl)thiophene
CID 58224011
(R)-(4-phenylphenyl)-thiophen-2-ylmethanamine
CID 93053848
2-[(5-Ethenyl-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiophene
CID 177852687
(1R)-N-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)-1-thiophen-2-ylmethanamine
CID 40078581

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(2,4-difluorophenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine?
The IUPAC name of 2-[4-[[5-(2,4-difluorophenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine (CID 144794912) is 2-[4-[[5-(2,4-difluorophenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine.
What is the SMILES notation for 2-[4-[[5-(2,4-difluorophenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine?
The canonical SMILES for 2-[4-[[5-(2,4-difluorophenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine is Cc1cc(Cc2csc(-c3ccc(F)cc3F)c2)c(C)cc1CCN.
What is the InChIKey of 2-[4-[[5-(2,4-difluorophenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine?
The InChIKey is AZKSIKNSYPVFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2NS/c1-13-8-17(14(2)7-16(13)5-6-24)9-15-10-21(25-12-15)19-4-3-18(22)11-20(19)23/h3-4,7-8,10-12H,5-6,9,24H2,1-2H3.
What are the key properties of 2-[4-[[5-(2,4-difluorophenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine?
2-[4-[[5-(2,4-difluorophenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine has a molecular weight of 357.47 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(2,4-difluorophenyl)thiophen-3-yl]methyl]-2,5-dimethylphenyl]ethanamine is sourced from PubChem (CID 144794912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).