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

C14H15BrClN3O — CID 114928733

IUPACN-[[2-[(5-bromo-3-pyridinyl)oxy]-5-chloro-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Oc2cncc(Br)c2)ncc1Cl
InChIInChI=1S/C14H15BrClN3O/c1-9(2)18-5-10-3-14(19-8-13(10)16)20-12-4-11(15)6-17-7-12/h3-4,6-9,18H,5H2,1-2H3
InChIKeyPQHDFPPVPWQDOW-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.18
Rot. Bonds5

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

N-[[2-[(5-bromo-3-pyridinyl)oxy]-5-chloro-4-pyridinyl]methyl]propan-2-amine (PubChem CID 114928733) has the molecular formula C14H15BrClN3O and a molecular weight of 356.65 g/mol. Its IUPAC name is N-[[2-[(5-bromo-3-pyridinyl)oxy]-5-chloro-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(5-bromo-3-pyridinyl)oxy]-5-chloro-4-pyridinyl]methyl]propan-2-amine
PubChem CID114928733
Molecular FormulaC14H15BrClN3O
Molecular Weight356.65 g/mol
Exact Mass355.01
IUPAC NameN-[[2-[(5-bromo-3-pyridinyl)oxy]-5-chloro-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Oc2cncc(Br)c2)ncc1Cl
InChIInChI=1S/C14H15BrClN3O/c1-9(2)18-5-10-3-14(19-8-13(10)16)20-12-4-11(15)6-17-7-12/h3-4,6-9,18H,5H2,1-2H3
InChIKeyPQHDFPPVPWQDOW-UHFFFAOYSA-N
XLogP4.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[5-chloro-2-(3,5-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928496
N-[[2-(4-bromo-3-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine
CID 114928803
N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-2-amine
CID 114857427
N-[[4-[(5-bromo-3-pyridinyl)oxy]-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81251108
N-[[5-chloro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928325
N-[[2-(2-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine
CID 114928025
N-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928315
N-[[2-(3-bromophenoxy)-5-chloro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928291
N-[(2-butoxy-5-chloro-4-pyridinyl)methyl]propan-2-amine
CID 114927879
N-[[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine
CID 114928898
N-[(5-chloro-2-phenylmethoxy-4-pyridinyl)methyl]propan-2-amine
CID 114927584
1-(5-chloro-2-pyridin-3-yloxy-4-pyridinyl)-N-methylmethanamine
CID 114927918

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-bromo-3-pyridinyl)oxy]-5-chloro-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(5-bromo-3-pyridinyl)oxy]-5-chloro-4-pyridinyl]methyl]propan-2-amine (CID 114928733) is N-[[2-[(5-bromo-3-pyridinyl)oxy]-5-chloro-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(5-bromo-3-pyridinyl)oxy]-5-chloro-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(5-bromo-3-pyridinyl)oxy]-5-chloro-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cc(Oc2cncc(Br)c2)ncc1Cl.
What is the InChIKey of N-[[2-[(5-bromo-3-pyridinyl)oxy]-5-chloro-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is PQHDFPPVPWQDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O/c1-9(2)18-5-10-3-14(19-8-13(10)16)20-12-4-11(15)6-17-7-12/h3-4,6-9,18H,5H2,1-2H3.
What are the key properties of N-[[2-[(5-bromo-3-pyridinyl)oxy]-5-chloro-4-pyridinyl]methyl]propan-2-amine?
N-[[2-[(5-bromo-3-pyridinyl)oxy]-5-chloro-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 356.65 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-bromo-3-pyridinyl)oxy]-5-chloro-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 114928733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).