2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline

C13H21FN2 — CID 61429251

IUPAC2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline
SMILESCC(C)CCN(C)c1ccc(F)cc1CN
InChIInChI=1S/C13H21FN2/c1-10(2)6-7-16(3)13-5-4-12(14)8-11(13)9-15/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeyMXHWLUQCDJUMTK-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.77
Rot. Bonds5

About 2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline

2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline (PubChem CID 61429251) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline
PubChem CID61429251
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline
SMILESCC(C)CCN(C)c1ccc(F)cc1CN
InChIInChI=1S/C13H21FN2/c1-10(2)6-7-16(3)13-5-4-12(14)8-11(13)9-15/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeyMXHWLUQCDJUMTK-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline
CID 43313967
2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 43314003
2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 43313878
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline
CID 61414753
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 79000673
2-(aminomethyl)-5-fluoro-N,N-dimethylaniline
CID 117110792
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline
CID 61416296
2-(2-aminoethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 63783578
2-[(tert-butylamino)methyl]-4-fluoro-N-methyl-N-(2-methylpropyl)aniline
CID 63059657
2-(aminomethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 43313949
2-(2-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-N-methylaniline
CID 63816194
2-(2-aminopropyl)-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 63793781

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline?
The IUPAC name of 2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline (CID 61429251) is 2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline?
The canonical SMILES for 2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline is CC(C)CCN(C)c1ccc(F)cc1CN.
What is the InChIKey of 2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline?
The InChIKey is MXHWLUQCDJUMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-10(2)6-7-16(3)13-5-4-12(14)8-11(13)9-15/h4-5,8,10H,6-7,9,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline?
2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline has a molecular weight of 224.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline is sourced from PubChem (CID 61429251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).