N-[[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine

C15H18ClN3O — CID 114928898

IUPACN-[[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine
SMILESCc1ncccc1Oc1cc(CNC(C)C)c(Cl)cn1
InChIInChI=1S/C15H18ClN3O/c1-10(2)18-8-12-7-15(19-9-13(12)16)20-14-5-4-6-17-11(14)3/h4-7,9-10,18H,8H2,1-3H3
InChIKeyZTBNOJYUHSYUFG-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.73
Rot. Bonds5

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

N-[[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine (PubChem CID 114928898) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine
PubChem CID114928898
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine
SMILESCc1ncccc1Oc1cc(CNC(C)C)c(Cl)cn1
InChIInChI=1S/C15H18ClN3O/c1-10(2)18-8-12-7-15(19-9-13(12)16)20-14-5-4-6-17-11(14)3/h4-7,9-10,18H,8H2,1-3H3
InChIKeyZTBNOJYUHSYUFG-UHFFFAOYSA-N
XLogP3.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928315
N-[[2-(2-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine
CID 114928025
N-[[5-chloro-2-(3,5-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928496
N-[[5-chloro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928325
N-[(5-chloro-2-phenylmethoxy-4-pyridinyl)methyl]propan-2-amine
CID 114927584
N-[(2-butoxy-5-chloro-4-pyridinyl)methyl]propan-2-amine
CID 114927879
N-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-2-amine
CID 105407428
N-[[2-[(5-bromo-3-pyridinyl)oxy]-5-chloro-4-pyridinyl]methyl]propan-2-amine
CID 114928733
N-[[2-(4-bromo-3-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine
CID 114928803
1-[5-chloro-2-(2,3-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928078
1-(5-chloro-2-pyridin-3-yloxy-4-pyridinyl)-N-methylmethanamine
CID 114927918
N-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62298107

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine (CID 114928898) is N-[[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine is Cc1ncccc1Oc1cc(CNC(C)C)c(Cl)cn1.
What is the InChIKey of N-[[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is ZTBNOJYUHSYUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-10(2)18-8-12-7-15(19-9-13(12)16)20-14-5-4-6-17-11(14)3/h4-7,9-10,18H,8H2,1-3H3.
What are the key properties of N-[[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine?
N-[[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 291.78 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 114928898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).