2-fluoro-4-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline

C18H16FNS — CID 43772282

IUPAC2-fluoro-4-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline
SMILESCc1ccc(NCc2ccc(-c3ccccc3)s2)c(F)c1
InChIInChI=1S/C18H16FNS/c1-13-7-9-17(16(19)11-13)20-12-15-8-10-18(21-15)14-5-3-2-4-6-14/h2-11,20H,12H2,1H3
InChIKeyHXKSLIUPLWGJPU-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.47
Rot. Bonds4

About 2-fluoro-4-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline

2-fluoro-4-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline (PubChem CID 43772282) has the molecular formula C18H16FNS and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline
PubChem CID43772282
Molecular FormulaC18H16FNS
Molecular Weight297.40 g/mol
Exact Mass297.10
IUPAC Name2-fluoro-4-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline
SMILESCc1ccc(NCc2ccc(-c3ccccc3)s2)c(F)c1
InChIInChI=1S/C18H16FNS/c1-13-7-9-17(16(19)11-13)20-12-15-8-10-18(21-15)14-5-3-2-4-6-14/h2-11,20H,12H2,1H3
InChIKeyHXKSLIUPLWGJPU-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-2-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43766545
N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43756087
2-iodo-N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43773459
2-bromo-5-chloro-N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 81269253
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline
CID 63422204
2-fluoro-N-[[5-[3-methyl-4-(trifluoromethoxy)phenyl]thiophen-2-yl]methyl]aniline
CID 166141110
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43434173
5-methyl-N-[(5-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934155
3-chloro-4-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43757389
N-[[5-(3-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287254
N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879324
3-N-[(5-phenylthiophen-2-yl)methyl]benzene-1,3-diamine
CID 91804343

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline?
The IUPAC name of 2-fluoro-4-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline (CID 43772282) is 2-fluoro-4-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for 2-fluoro-4-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline?
The canonical SMILES for 2-fluoro-4-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline is Cc1ccc(NCc2ccc(-c3ccccc3)s2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline?
The InChIKey is HXKSLIUPLWGJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNS/c1-13-7-9-17(16(19)11-13)20-12-15-8-10-18(21-15)14-5-3-2-4-6-14/h2-11,20H,12H2,1H3.
What are the key properties of 2-fluoro-4-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline?
2-fluoro-4-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline 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 2-fluoro-4-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 43772282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).