N-(2-cyclopropylethyl)-3-fluoro-5-methylaniline

C12H16FN — CID 79054586

IUPACN-(2-cyclopropylethyl)-3-fluoro-5-methylaniline
SMILESCc1cc(F)cc(NCCC2CC2)c1
InChIInChI=1S/C12H16FN/c1-9-6-11(13)8-12(7-9)14-5-4-10-2-3-10/h6-8,10,14H,2-5H2,1H3
InChIKeyLJHXNQARPFNBRT-UHFFFAOYSA-N
MW193.27 g/mol
LogP3.35
Rot. Bonds4

About N-(2-cyclopropylethyl)-3-fluoro-5-methylaniline

N-(2-cyclopropylethyl)-3-fluoro-5-methylaniline (PubChem CID 79054586) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-3-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-3-fluoro-5-methylaniline
PubChem CID79054586
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC NameN-(2-cyclopropylethyl)-3-fluoro-5-methylaniline
SMILESCc1cc(F)cc(NCCC2CC2)c1
InChIInChI=1S/C12H16FN/c1-9-6-11(13)8-12(7-9)14-5-4-10-2-3-10/h6-8,10,14H,2-5H2,1H3
InChIKeyLJHXNQARPFNBRT-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine
CID 79692011
3-fluoro-5-methyl-N-(4,4,4-trifluorobutyl)aniline
CID 115513789
3-(2-cyclobutylethylamino)-5-fluorobenzonitrile
CID 102817361
N-(1-cyclopropylpropan-2-yl)-3-fluoro-5-methylaniline
CID 115928729
3-cyclopropyl-2-(3-fluoro-5-methylanilino)-2-methylpropanamide
CID 113490089
N-(2-cyclohexylethyl)-3-methylaniline
CID 20699944
3-fluoro-5-methyl-N-(2-methylpropyl)aniline
CID 75356152
3-fluoro-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82888949
N-[(4-tert-butylcyclohexyl)methyl]-3,5-difluoroaniline
CID 104574770
N-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525201
4-N-(3-fluoro-5-methylphenyl)cyclohexane-1,4-diamine
CID 79740975
N-(dicyclopropylmethyl)-3-fluoro-5-methylaniline
CID 79054393

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-3-fluoro-5-methylaniline?
The IUPAC name of N-(2-cyclopropylethyl)-3-fluoro-5-methylaniline (CID 79054586) is N-(2-cyclopropylethyl)-3-fluoro-5-methylaniline.
What is the SMILES notation for N-(2-cyclopropylethyl)-3-fluoro-5-methylaniline?
The canonical SMILES for N-(2-cyclopropylethyl)-3-fluoro-5-methylaniline is Cc1cc(F)cc(NCCC2CC2)c1.
What is the InChIKey of N-(2-cyclopropylethyl)-3-fluoro-5-methylaniline?
The InChIKey is LJHXNQARPFNBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-9-6-11(13)8-12(7-9)14-5-4-10-2-3-10/h6-8,10,14H,2-5H2,1H3.
What are the key properties of N-(2-cyclopropylethyl)-3-fluoro-5-methylaniline?
N-(2-cyclopropylethyl)-3-fluoro-5-methylaniline has a molecular weight of 193.27 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-3-fluoro-5-methylaniline is sourced from PubChem (CID 79054586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).