3-(aminomethyl)-5-fluoro-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine

C13H15FN4 — CID 114035262

IUPAC3-(aminomethyl)-5-fluoro-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
SMILESCN(Cc1ccncc1)c1ncc(F)cc1CN
InChIInChI=1S/C13H15FN4/c1-18(9-10-2-4-16-5-3-10)13-11(7-15)6-12(14)8-17-13/h2-6,8H,7,9,15H2,1H3
InChIKeyBORJKMZMFVWBPQ-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.71
Rot. Bonds4

About 3-(aminomethyl)-5-fluoro-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine

3-(aminomethyl)-5-fluoro-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine (PubChem CID 114035262) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 3-(aminomethyl)-5-fluoro-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-5-fluoro-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
PubChem CID114035262
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name3-(aminomethyl)-5-fluoro-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
SMILESCN(Cc1ccncc1)c1ncc(F)cc1CN
InChIInChI=1S/C13H15FN4/c1-18(9-10-2-4-16-5-3-10)13-11(7-15)6-12(14)8-17-13/h2-6,8H,7,9,15H2,1H3
InChIKeyBORJKMZMFVWBPQ-UHFFFAOYSA-N
XLogP1.71
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 81246480
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 107532176
6-fluoro-N-methyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 171691676
4-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-3-(trifluoromethyl)aniline
CID 43563877
3-(aminomethyl)-N-ethyl-5-fluoro-N-phenylpyridin-2-amine
CID 114035183
4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105389702
2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 81299898
3-(aminomethyl)-5-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine
CID 62286034
3-chloro-N-methyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 55059008
2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 79517600
N'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 112675382
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105389320

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-fluoro-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-5-fluoro-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine (CID 114035262) is 3-(aminomethyl)-5-fluoro-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-5-fluoro-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-5-fluoro-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine is CN(Cc1ccncc1)c1ncc(F)cc1CN.
What is the InChIKey of 3-(aminomethyl)-5-fluoro-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The InChIKey is BORJKMZMFVWBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-18(9-10-2-4-16-5-3-10)13-11(7-15)6-12(14)8-17-13/h2-6,8H,7,9,15H2,1H3.
What are the key properties of 3-(aminomethyl)-5-fluoro-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine?
3-(aminomethyl)-5-fluoro-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine has a molecular weight of 246.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-fluoro-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 114035262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).