2-fluoro-4-methyl-N-[(1-methylcyclopropyl)methyl]aniline

C12H16FN — CID 130611807

IUPAC2-fluoro-4-methyl-N-[(1-methylcyclopropyl)methyl]aniline
SMILESCc1ccc(NCC2(C)CC2)c(F)c1
InChIInChI=1S/C12H16FN/c1-9-3-4-11(10(13)7-9)14-8-12(2)5-6-12/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyOKHBQRGANQTXRR-UHFFFAOYSA-N
MW193.27 g/mol
LogP3.35
Rot. Bonds3

About 2-fluoro-4-methyl-N-[(1-methylcyclopropyl)methyl]aniline

2-fluoro-4-methyl-N-[(1-methylcyclopropyl)methyl]aniline (PubChem CID 130611807) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-[(1-methylcyclopropyl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-[(1-methylcyclopropyl)methyl]aniline
PubChem CID130611807
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name2-fluoro-4-methyl-N-[(1-methylcyclopropyl)methyl]aniline
SMILESCc1ccc(NCC2(C)CC2)c(F)c1
InChIInChI=1S/C12H16FN/c1-9-3-4-11(10(13)7-9)14-8-12(2)5-6-12/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyOKHBQRGANQTXRR-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

2,5-dimethyl-N-[(1-methylcyclopropyl)methyl]aniline
CID 126991741
3-fluoro-4-[(1-methylcyclopentyl)methylamino]benzoic acid
CID 63831279
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline
CID 28879321
5-methyl-2-[(1-methylcyclopentyl)methylamino]benzoic acid
CID 63830331
ethyl 3-[1-[(2-fluoro-4-methylanilino)methyl]cyclopropyl]propanoate
CID 144760013
N-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879315
5-methyl-2-[(1-methylcyclobutyl)methylamino]benzenecarbothioamide
CID 114108061
2-fluoro-4-methyl-N-(3-methylbutyl)aniline
CID 28877553
2-fluoro-4-methyl-N-(3-methylsulfonylpropyl)aniline
CID 63190667
2-fluoro-4-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43772308
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline
CID 63422204
2-fluoro-4-methyl-N-(2-propan-2-yloxypropyl)aniline
CID 143658491

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-[(1-methylcyclopropyl)methyl]aniline?
The IUPAC name of 2-fluoro-4-methyl-N-[(1-methylcyclopropyl)methyl]aniline (CID 130611807) is 2-fluoro-4-methyl-N-[(1-methylcyclopropyl)methyl]aniline.
What is the SMILES notation for 2-fluoro-4-methyl-N-[(1-methylcyclopropyl)methyl]aniline?
The canonical SMILES for 2-fluoro-4-methyl-N-[(1-methylcyclopropyl)methyl]aniline is Cc1ccc(NCC2(C)CC2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-[(1-methylcyclopropyl)methyl]aniline?
The InChIKey is OKHBQRGANQTXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-9-3-4-11(10(13)7-9)14-8-12(2)5-6-12/h3-4,7,14H,5-6,8H2,1-2H3.
What are the key properties of 2-fluoro-4-methyl-N-[(1-methylcyclopropyl)methyl]aniline?
2-fluoro-4-methyl-N-[(1-methylcyclopropyl)methyl]aniline has a molecular weight of 193.27 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-[(1-methylcyclopropyl)methyl]aniline is sourced from PubChem (CID 130611807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).