4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine

C13H22FN3 — CID 105389620

IUPAC4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)CN(c1nccc(CN)c1F)C(C)C
InChIInChI=1S/C13H22FN3/c1-9(2)8-17(10(3)4)13-12(14)11(7-15)5-6-16-13/h5-6,9-10H,7-8,15H2,1-4H3
InChIKeyLQVAVTYKCKNUNR-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.55
Rot. Bonds5

About 4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine

4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 105389620) has the molecular formula C13H22FN3 and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
PubChem CID105389620
Molecular FormulaC13H22FN3
Molecular Weight239.34 g/mol
Exact Mass239.18
IUPAC Name4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)CN(c1nccc(CN)c1F)C(C)C
InChIInChI=1S/C13H22FN3/c1-9(2)8-17(10(3)4)13-12(14)11(7-15)5-6-16-13/h5-6,9-10H,7-8,15H2,1-4H3
InChIKeyLQVAVTYKCKNUNR-UHFFFAOYSA-N
XLogP2.55
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-2-(4-methylpentan-2-yloxy)-4-pyridinyl]methanamine
CID 105390800
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 105389049
4-(aminomethyl)-N-cyclopropyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine
CID 105389659
4-(aminomethyl)-N-ethyl-3-fluoro-N-methylpyridin-2-amine
CID 105388980
4-(aminomethyl)-N-cyclopentyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine
CID 105390159
[3-fluoro-2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanamine
CID 106449463
[2-(difluoromethoxy)-3-fluoro-4-pyridinyl]methanamine
CID 168892634
3-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
CID 79484086
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 105390306
4-(aminomethyl)-3-chloro-N-propan-2-yl-N-propylpyridin-2-amine
CID 107055104
4-[(tert-butylamino)methyl]-3-fluoro-N-propan-2-yl-N-propylpyridin-2-amine
CID 105384781
4-(aminomethyl)-3-fluoro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 105389449

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine (CID 105389620) is 4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine is CC(C)CN(c1nccc(CN)c1F)C(C)C.
What is the InChIKey of 4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is LQVAVTYKCKNUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3/c1-9(2)8-17(10(3)4)13-12(14)11(7-15)5-6-16-13/h5-6,9-10H,7-8,15H2,1-4H3.
What are the key properties of 4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine?
4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 239.34 g/mol, XLogP of 2.55, 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-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 105389620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).