3-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline

C13H21FN2 — CID 102813810

IUPAC3-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline
SMILESCN(CC(C)(C)C)c1cc(F)cc(CN)c1
InChIInChI=1S/C13H21FN2/c1-13(2,3)9-16(4)12-6-10(8-15)5-11(14)7-12/h5-7H,8-9,15H2,1-4H3
InChIKeyQOACHLRVJPFGFF-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.77
Rot. Bonds3

About 3-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline

3-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline (PubChem CID 102813810) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline
PubChem CID102813810
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name3-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline
SMILESCN(CC(C)(C)C)c1cc(F)cc(CN)c1
InChIInChI=1S/C13H21FN2/c1-13(2,3)9-16(4)12-6-10(8-15)5-11(14)7-12/h5-7H,8-9,15H2,1-4H3
InChIKeyQOACHLRVJPFGFF-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylaniline
CID 102813812
2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-2-methylpropan-1-ol
CID 102814302
3-[2,2-dimethylpropyl(methyl)amino]-5-fluorobenzaldehyde
CID 106529213
2-[3-(aminomethyl)-5-fluoro-N-methylanilino]-N-methylacetamide
CID 102813438
3-(aminomethyl)-5-fluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 102813489
3-(aminomethyl)-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 102813798
3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 102814188
3-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)aniline
CID 106532176
3-(aminomethyl)-5-fluoro-N-methyl-N-pentan-2-ylaniline
CID 102813482
[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine
CID 102814557
3-(aminomethyl)-N-ethyl-5-fluoro-N-(4-fluorophenyl)aniline
CID 102813839
2-[3-(aminomethyl)-5-fluoro-N-propan-2-ylanilino]ethanol
CID 102813731

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline?
The IUPAC name of 3-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline (CID 102813810) is 3-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline.
What is the SMILES notation for 3-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline?
The canonical SMILES for 3-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline is CN(CC(C)(C)C)c1cc(F)cc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline?
The InChIKey is QOACHLRVJPFGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-13(2,3)9-16(4)12-6-10(8-15)5-11(14)7-12/h5-7H,8-9,15H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline?
3-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline has a molecular weight of 224.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline is sourced from PubChem (CID 102813810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).