4-(aminomethyl)-N-butyl-2-fluoro-N-methylaniline

C12H19FN2 — CID 28965098

IUPAC4-(aminomethyl)-N-butyl-2-fluoro-N-methylaniline
SMILESCCCCN(C)c1ccc(CN)cc1F
InChIInChI=1S/C12H19FN2/c1-3-4-7-15(2)12-6-5-10(9-14)8-11(12)13/h5-6,8H,3-4,7,9,14H2,1-2H3
InChIKeyDRQOMJYISPNMIM-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.52
Rot. Bonds5

About 4-(aminomethyl)-N-butyl-2-fluoro-N-methylaniline

4-(aminomethyl)-N-butyl-2-fluoro-N-methylaniline (PubChem CID 28965098) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-(aminomethyl)-N-butyl-2-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-butyl-2-fluoro-N-methylaniline
PubChem CID28965098
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name4-(aminomethyl)-N-butyl-2-fluoro-N-methylaniline
SMILESCCCCN(C)c1ccc(CN)cc1F
InChIInChI=1S/C12H19FN2/c1-3-4-7-15(2)12-6-5-10(9-14)8-11(12)13/h5-6,8H,3-4,7,9,14H2,1-2H3
InChIKeyDRQOMJYISPNMIM-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol
CID 60960608
4-(aminomethyl)-2-bromo-N-butyl-N-methylaniline
CID 82795159
N-butyl-4-[(tert-butylamino)methyl]-2-fluoro-N-methylaniline
CID 63061057
4-(2-aminobutyl)-2-fluoro-N-methyl-N-pentylaniline
CID 63785639
4-(aminomethyl)-N-butyl-N-methyl-2-nitroaniline
CID 98015065
1-[4-(aminomethyl)-2-fluoro-N-methylanilino]propan-2-ol
CID 62335484
N-[4-(aminomethyl)-2-fluorophenyl]-N-methylethanesulfonamide
CID 165485847
4-(2-aminoethyl)-N,N-dibutyl-2-fluoroaniline
CID 63784071
[3-fluoro-4-[methyl(propyl)amino]phenyl]methanol
CID 43271461
2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol
CID 60979832
N'-[4-(aminomethyl)-2-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695102
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline
CID 61416419

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-butyl-2-fluoro-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-N-butyl-2-fluoro-N-methylaniline (CID 28965098) is 4-(aminomethyl)-N-butyl-2-fluoro-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-butyl-2-fluoro-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-N-butyl-2-fluoro-N-methylaniline is CCCCN(C)c1ccc(CN)cc1F.
What is the InChIKey of 4-(aminomethyl)-N-butyl-2-fluoro-N-methylaniline?
The InChIKey is DRQOMJYISPNMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-3-4-7-15(2)12-6-5-10(9-14)8-11(12)13/h5-6,8H,3-4,7,9,14H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-butyl-2-fluoro-N-methylaniline?
4-(aminomethyl)-N-butyl-2-fluoro-N-methylaniline has a molecular weight of 210.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-butyl-2-fluoro-N-methylaniline is sourced from PubChem (CID 28965098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).