4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine

C12H20FN3 — CID 105389049

IUPAC4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
SMILESCCC(C)CN(C)c1nccc(CN)c1F
InChIInChI=1S/C12H20FN3/c1-4-9(2)8-16(3)12-11(13)10(7-14)5-6-15-12/h5-6,9H,4,7-8,14H2,1-3H3
InChIKeyBWNJYVWURORKRZ-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.16
Rot. Bonds5

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

4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine (PubChem CID 105389049) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
PubChem CID105389049
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
SMILESCCC(C)CN(C)c1nccc(CN)c1F
InChIInChI=1S/C12H20FN3/c1-4-9(2)8-16(3)12-11(13)10(7-14)5-6-15-12/h5-6,9H,4,7-8,14H2,1-3H3
InChIKeyBWNJYVWURORKRZ-UHFFFAOYSA-N
XLogP2.16
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-ethyl-3-fluoro-N-methylpyridin-2-amine
CID 105388980
3-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 43295307
4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 105389047
3-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyrazin-2-amine
CID 62671805
4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
CID 105389620
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 105390306
4-(aminomethyl)-N-methyl-N-(2-methylbutyl)isoquinolin-1-amine
CID 106775173
2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 43314003
4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105389702
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105389320
4-(aminomethyl)-3-fluoro-N-methyl-N-pent-4-enylpyridin-2-amine
CID 105390426
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine
CID 107113089

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine (CID 105389049) is 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine is CCC(C)CN(C)c1nccc(CN)c1F.
What is the InChIKey of 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine?
The InChIKey is BWNJYVWURORKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-4-9(2)8-16(3)12-11(13)10(7-14)5-6-15-12/h5-6,9H,4,7-8,14H2,1-3H3.
What are the key properties of 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine?
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine has a molecular weight of 225.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine is sourced from PubChem (CID 105389049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).