4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline

C16H23FN4 — CID 63793316

IUPAC4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCCC(N)Cc1ccc(N(C)Cc2nccn2C)c(F)c1
InChIInChI=1S/C16H23FN4/c1-4-13(18)9-12-5-6-15(14(17)10-12)21(3)11-16-19-7-8-20(16)2/h5-8,10,13H,4,9,11,18H2,1-3H3
InChIKeyKRTPGNMOUOJUOD-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.48
Rot. Bonds6

About 4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline

4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline (PubChem CID 63793316) has the molecular formula C16H23FN4 and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
PubChem CID63793316
Molecular FormulaC16H23FN4
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Name4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCCC(N)Cc1ccc(N(C)Cc2nccn2C)c(F)c1
InChIInChI=1S/C16H23FN4/c1-4-13(18)9-12-5-6-15(14(17)10-12)21(3)11-16-19-7-8-20(16)2/h5-8,10,13H,4,9,11,18H2,1-3H3
InChIKeyKRTPGNMOUOJUOD-UHFFFAOYSA-N
XLogP2.48
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminobutyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 63785488
4-(2-aminobutyl)-2-fluoro-N-methyl-N-pentylaniline
CID 63785639
4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 78935606
4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79312079
4-(bromomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 107083191
2-(difluoromethyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine
CID 63735656
2-(2-aminopropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63795220
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63369043
(1R)-1-[5-fluoro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol
CID 78941099
1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropane-1,2-diamine
CID 63027015
4-bromo-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]benzene-1,2-diamine
CID 63013204
4-(2-aminobutyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylaniline
CID 63787146

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The IUPAC name of 4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline (CID 63793316) is 4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline is CCC(N)Cc1ccc(N(C)Cc2nccn2C)c(F)c1.
What is the InChIKey of 4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The InChIKey is KRTPGNMOUOJUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4/c1-4-13(18)9-12-5-6-15(14(17)10-12)21(3)11-16-19-7-8-20(16)2/h5-8,10,13H,4,9,11,18H2,1-3H3.
What are the key properties of 4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline has a molecular weight of 290.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 63793316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).