N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-phenoxyaniline

C23H18FNOS — CID 4712124

IUPACN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-phenoxyaniline
SMILESFc1ccc(C(Nc2ccc(Oc3ccccc3)cc2)c2cccs2)cc1
InChIInChI=1S/C23H18FNOS/c24-18-10-8-17(9-11-18)23(22-7-4-16-27-22)25-19-12-14-21(15-13-19)26-20-5-2-1-3-6-20/h1-16,23,25H
InChIKeyJNVXCYAHLOSXQQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP6.88
Rot. Bonds6

About N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-phenoxyaniline

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-phenoxyaniline (PubChem CID 4712124) has the molecular formula C23H18FNOS and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-phenoxyaniline.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-phenoxyaniline
PubChem CID4712124
Molecular FormulaC23H18FNOS
Molecular Weight375.47 g/mol
Exact Mass375.11
IUPAC NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-phenoxyaniline
SMILESFc1ccc(C(Nc2ccc(Oc3ccccc3)cc2)c2cccs2)cc1
InChIInChI=1S/C23H18FNOS/c24-18-10-8-17(9-11-18)23(22-7-4-16-27-22)25-19-12-14-21(15-13-19)26-20-5-2-1-3-6-20/h1-16,23,25H
InChIKeyJNVXCYAHLOSXQQ-UHFFFAOYSA-N
XLogP6.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methoxy-phenyl)-thiophen-3-ylmethyl-amine
CID 3148504
N-(2-fluoroethyl)-4-(5-(4-methoxyphenyl)thiophen-2-yl)benzenamine
CID 44408848
2-(4-acetamidophenoxy)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 16299517
4-methoxy-N-(1-thiophen-3-ylethyl)aniline
CID 44435952
N-[(1S)-1-(4-fluorophenyl)-2-(4-methylphenyl)sulfinylethyl]-4-methoxyaniline
CID 397137
4-methoxy-N-[2-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)-2-phenylethyl]aniline
CID 102309825
2-(1-benzothiophen-3-yl)-N-[(4-methoxyphenyl)methyl]aniline
CID 139252446
4-methoxy-N-[(2S,3R)-1,1,1-trifluoro-3-(4-methylphenyl)sulfinyl-3-phenylpropan-2-yl]aniline
CID 391996
N-[(1S)-1-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylethyl]-4-methoxyaniline
CID 397138
4-methoxy-N-[2,2,2-trifluoro-1-[phenyl(p-tolylsulfinyl)methyl]ethyl]aniline
CID 496496
N-[4-[3-(dimethylamino)propoxy]phenyl]-6,11-dihydrobenzo[c][1]benzothiepin-11-amine
CID 3470629
4-methoxy-N-[(1S,2S)-3,3,4,4,4-pentafluoro-1-[(R)-(4-methylphenyl)sulfinyl]-1-phenylbutan-2-yl]aniline
CID 10624675

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-phenoxyaniline?
The IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-phenoxyaniline (CID 4712124) is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-phenoxyaniline.
What is the SMILES notation for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-phenoxyaniline?
The canonical SMILES for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-phenoxyaniline is Fc1ccc(C(Nc2ccc(Oc3ccccc3)cc2)c2cccs2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-phenoxyaniline?
The InChIKey is JNVXCYAHLOSXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNOS/c24-18-10-8-17(9-11-18)23(22-7-4-16-27-22)25-19-12-14-21(15-13-19)26-20-5-2-1-3-6-20/h1-16,23,25H.
What are the key properties of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-phenoxyaniline?
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-phenoxyaniline has a molecular weight of 375.47 g/mol, XLogP of 6.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-phenoxyaniline is sourced from PubChem (CID 4712124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).