3-fluoro-N-methyl-N-(oxan-4-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine

C15H24FN3O — CID 105389180

IUPAC3-fluoro-N-methyl-N-(oxan-4-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)NCc1ccnc(N(C)C2CCOCC2)c1F
InChIInChI=1S/C15H24FN3O/c1-11(2)18-10-12-4-7-17-15(14(12)16)19(3)13-5-8-20-9-6-13/h4,7,11,13,18H,5-6,8-10H2,1-3H3
InChIKeyHQEIJDHABQWULO-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.33
Rot. Bonds5

About 3-fluoro-N-methyl-N-(oxan-4-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine

3-fluoro-N-methyl-N-(oxan-4-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 105389180) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-(oxan-4-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-(oxan-4-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID105389180
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name3-fluoro-N-methyl-N-(oxan-4-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)NCc1ccnc(N(C)C2CCOCC2)c1F
InChIInChI=1S/C15H24FN3O/c1-11(2)18-10-12-4-7-17-15(14(12)16)19(3)13-5-8-20-9-6-13/h4,7,11,13,18H,5-6,8-10H2,1-3H3
InChIKeyHQEIJDHABQWULO-UHFFFAOYSA-N
XLogP2.33
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-fluoro-N-(3-methylbutyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105389656
N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105388745
3-fluoro-N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridin-2-amine
CID 105389734
3-fluoro-N-methyl-N-(2-methylprop-2-enyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105390409
N,4-dimethyl-N-(oxan-4-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83185887
N-methyl-N-(oxolan-3-yl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 82754235
4-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridin-2-amine
CID 105389498
N-cyclopropyl-3-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 105389388
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N-methyloxan-4-amine
CID 107454373
N-[(2-ethoxy-3-fluoro-4-pyridinyl)methyl]propan-2-amine
CID 105390794
3-[[3-fluoro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 105391234
N-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 63707826

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-(oxan-4-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of 3-fluoro-N-methyl-N-(oxan-4-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 105389180) is 3-fluoro-N-methyl-N-(oxan-4-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-methyl-N-(oxan-4-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-methyl-N-(oxan-4-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine is CC(C)NCc1ccnc(N(C)C2CCOCC2)c1F.
What is the InChIKey of 3-fluoro-N-methyl-N-(oxan-4-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is HQEIJDHABQWULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-11(2)18-10-12-4-7-17-15(14(12)16)19(3)13-5-8-20-9-6-13/h4,7,11,13,18H,5-6,8-10H2,1-3H3.
What are the key properties of 3-fluoro-N-methyl-N-(oxan-4-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
3-fluoro-N-methyl-N-(oxan-4-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 281.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-(oxan-4-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 105389180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).