N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine

C15H17ClFN3O — CID 105391526

IUPACN-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccnc(Oc2cncc(Cl)c2)c1F
InChIInChI=1S/C15H17ClFN3O/c1-10(2)6-18-7-11-3-4-20-15(14(11)17)21-13-5-12(16)8-19-9-13/h3-5,8-10,18H,6-7H2,1-2H3
InChIKeyQNQKJGOGJPLPRE-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.81
Rot. Bonds6

About N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 105391526) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID105391526
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC NameN-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccnc(Oc2cncc(Cl)c2)c1F
InChIInChI=1S/C15H17ClFN3O/c1-10(2)6-18-7-11-3-4-20-15(14(11)17)21-13-5-12(16)8-19-9-13/h3-5,8-10,18H,6-7H2,1-2H3
InChIKeyQNQKJGOGJPLPRE-UHFFFAOYSA-N
XLogP3.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105391527
N-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64601790
N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-1-amine
CID 64600243
N-[[5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64601599
N-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 105390709
N-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64601212
N-[[3-chloro-6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64600643
N-[[3-fluoro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391100
N-[[3-fluoro-2-(1-methoxypropan-2-yloxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105391503
N-[[3-(3-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105075399
N-[[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105391402
N-[[3-fluoro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105391410

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 105391526) is N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccnc(Oc2cncc(Cl)c2)c1F.
What is the InChIKey of N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is QNQKJGOGJPLPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-10(2)6-18-7-11-3-4-20-15(14(11)17)21-13-5-12(16)8-19-9-13/h3-5,8-10,18H,6-7H2,1-2H3.
What are the key properties of N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 309.77 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 105391526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).