N-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine

C14H21FN2O — CID 105390709

IUPACN-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccnc(OC2CCC2)c1F
InChIInChI=1S/C14H21FN2O/c1-10(2)8-16-9-11-6-7-17-14(13(11)15)18-12-4-3-5-12/h6-7,10,12,16H,3-5,8-9H2,1-2H3
InChIKeyPJVGVFYJJMCXKQ-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.90
Rot. Bonds6

About N-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine

N-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine (PubChem CID 105390709) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine
PubChem CID105390709
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccnc(OC2CCC2)c1F
InChIInChI=1S/C14H21FN2O/c1-10(2)8-16-9-11-6-7-17-14(13(11)15)18-12-4-3-5-12/h6-7,10,12,16H,3-5,8-9H2,1-2H3
InChIKeyPJVGVFYJJMCXKQ-UHFFFAOYSA-N
XLogP2.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]methyl]ethanamine
CID 105390729
N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105391510
N-[[3-fluoro-2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]ethanamine
CID 105390723
N-[[3-fluoro-2-(1-methoxypropan-2-yloxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105391503
4-(chloromethyl)-2-cyclohexyloxy-3-fluoropyridine
CID 105383733
N-[[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105391402
N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105391526
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62287517
N-[[3-fluoro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105391410
N-[(3-fluoro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 105388882
N-[[3-fluoro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]ethanamine
CID 105390828
[3-fluoro-2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine
CID 105390958

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine (CID 105390709) is N-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccnc(OC2CCC2)c1F.
What is the InChIKey of N-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine?
The InChIKey is PJVGVFYJJMCXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(2)8-16-9-11-6-7-17-14(13(11)15)18-12-4-3-5-12/h6-7,10,12,16H,3-5,8-9H2,1-2H3.
What are the key properties of N-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine?
N-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine has a molecular weight of 252.33 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 105390709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).