N-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline

C15H16FNS — CID 79055355

IUPACN-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline
SMILESCc1cc(F)cc(NC(c2cccs2)C2CC2)c1
InChIInChI=1S/C15H16FNS/c1-10-7-12(16)9-13(8-10)17-15(11-4-5-11)14-3-2-6-18-14/h2-3,6-9,11,15,17H,4-5H2,1H3
InChIKeyGGNKLRGUXWLEPC-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.76
Rot. Bonds4

About N-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline

N-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline (PubChem CID 79055355) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline
PubChem CID79055355
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC NameN-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline
SMILESCc1cc(F)cc(NC(c2cccs2)C2CC2)c1
InChIInChI=1S/C15H16FNS/c1-10-7-12(16)9-13(8-10)17-15(11-4-5-11)14-3-2-6-18-14/h2-3,6-9,11,15,17H,4-5H2,1H3
InChIKeyGGNKLRGUXWLEPC-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl(thiophen-2-yl)methyl]-3,4,5-trifluoroaniline
CID 62809644
N-[cyclopropyl(thiophen-2-yl)methyl]-4-fluoro-3-methylaniline
CID 62810181
N-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline
CID 43765836
N-[cyclopropyl(thiophen-2-yl)methyl]-2,4,5-trifluoroaniline
CID 55118586
2-(3-fluoro-5-methylanilino)-2-thiophen-2-ylacetic acid
CID 79050291
N-(dicyclopropylmethyl)-3-fluoro-5-methylaniline
CID 79054393
N-[cyclopentyl(thiophen-2-yl)methyl]-2,3,5-trifluoroaniline
CID 63477350
3-bromo-N-[cyclopropyl(thiophen-2-yl)methyl]-2-methylaniline
CID 107630101
N-[cyclopropyl(thiophen-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 54983465
N-[cyclopentyl(thiophen-2-yl)methyl]-3-fluoro-4-methoxyaniline
CID 43775939
2,6-dibromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline
CID 107597366
2-bromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline
CID 54982930

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline?
The IUPAC name of N-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline (CID 79055355) is N-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline.
What is the SMILES notation for N-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline?
The canonical SMILES for N-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline is Cc1cc(F)cc(NC(c2cccs2)C2CC2)c1.
What is the InChIKey of N-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline?
The InChIKey is GGNKLRGUXWLEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS/c1-10-7-12(16)9-13(8-10)17-15(11-4-5-11)14-3-2-6-18-14/h2-3,6-9,11,15,17H,4-5H2,1H3.
What are the key properties of N-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline?
N-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline has a molecular weight of 261.37 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline is sourced from PubChem (CID 79055355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).