2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthiophene-2,4-diamine

C18H17FN2S — CID 57234590

IUPAC2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthiophene-2,4-diamine
SMILESCc1cc(F)ccc1Nc1cc(N(C)c2ccccc2)cs1
InChIInChI=1S/C18H17FN2S/c1-13-10-14(19)8-9-17(13)20-18-11-16(12-22-18)21(2)15-6-4-3-5-7-15/h3-12,20H,1-2H3
InChIKeyPOCMVSKBCGFAFG-UHFFFAOYSA-N
MW312.41 g/mol
LogP5.71
Rot. Bonds4

About 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthiophene-2,4-diamine

2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthiophene-2,4-diamine (PubChem CID 57234590) has the molecular formula C18H17FN2S and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthiophene-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthiophene-2,4-diamine
PubChem CID57234590
Molecular FormulaC18H17FN2S
Molecular Weight312.41 g/mol
Exact Mass312.11
IUPAC Name2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthiophene-2,4-diamine
SMILESCc1cc(F)ccc1Nc1cc(N(C)c2ccccc2)cs1
InChIInChI=1S/C18H17FN2S/c1-13-10-14(19)8-9-17(13)20-18-11-16(12-22-18)21(2)15-6-4-3-5-7-15/h3-12,20H,1-2H3
InChIKeyPOCMVSKBCGFAFG-UHFFFAOYSA-N
XLogP5.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.41
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-ethyl-N-[[5-[(2-ethylanilino)methyl]thiophen-2-yl]methyl]aniline
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2-methyl-N-[[5-[(2-methylanilino)methyl]thiophen-2-yl]methyl]aniline
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Ditolylaminothiophene
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1-Benzyl-3-(2-fluorophenyl)-1-[(thiophen-2-YL)methyl]thiourea
CID 5141153
2-[5-[4-[(dimethylamino)methyl]phenyl]thiophen-3-yl]-5-fluoro-N,N-dimethylaniline
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CID 57667867

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthiophene-2,4-diamine?
The IUPAC name of 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthiophene-2,4-diamine (CID 57234590) is 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthiophene-2,4-diamine.
What is the SMILES notation for 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthiophene-2,4-diamine?
The canonical SMILES for 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthiophene-2,4-diamine is Cc1cc(F)ccc1Nc1cc(N(C)c2ccccc2)cs1.
What is the InChIKey of 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthiophene-2,4-diamine?
The InChIKey is POCMVSKBCGFAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2S/c1-13-10-14(19)8-9-17(13)20-18-11-16(12-22-18)21(2)15-6-4-3-5-7-15/h3-12,20H,1-2H3.
What are the key properties of 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthiophene-2,4-diamine?
2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthiophene-2,4-diamine has a molecular weight of 312.41 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylthiophene-2,4-diamine is sourced from PubChem (CID 57234590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).