N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline

C18H16FNS — CID 63420445

IUPACN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2ccc(F)c(-c3cccs3)c2)cc1
InChIInChI=1S/C18H16FNS/c1-13-4-7-15(8-5-13)20-12-14-6-9-17(19)16(11-14)18-3-2-10-21-18/h2-11,20H,12H2,1H3
InChIKeyNFWDSWXKWLFNNG-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.47
Rot. Bonds4

About N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline

N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline (PubChem CID 63420445) has the molecular formula C18H16FNS and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline.

Molecular Properties

Compound NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline
PubChem CID63420445
Molecular FormulaC18H16FNS
Molecular Weight297.40 g/mol
Exact Mass297.10
IUPAC NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2ccc(F)c(-c3cccs3)c2)cc1
InChIInChI=1S/C18H16FNS/c1-13-4-7-15(8-5-13)20-12-14-6-9-17(19)16(11-14)18-3-2-10-21-18/h2-11,20H,12H2,1H3
InChIKeyNFWDSWXKWLFNNG-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline
CID 63422472
4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol
CID 61103429
3-fluoro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline
CID 63422959
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 107648578
N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
CID 82709130
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656201
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-methylpyrazol-3-amine
CID 61103625
methyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-2-methylpropanoate
CID 61103428
(1S)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81391284
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine
CID 83010258
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 61104385
1-(4-fluoro-3-thiophen-2-ylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 61060963

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline?
The IUPAC name of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline (CID 63420445) is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline.
What is the SMILES notation for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline?
The canonical SMILES for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline is Cc1ccc(NCc2ccc(F)c(-c3cccs3)c2)cc1.
What is the InChIKey of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline?
The InChIKey is NFWDSWXKWLFNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNS/c1-13-4-7-15(8-5-13)20-12-14-6-9-17(19)16(11-14)18-3-2-10-21-18/h2-11,20H,12H2,1H3.
What are the key properties of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline?
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline has a molecular weight of 297.40 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline is sourced from PubChem (CID 63420445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).