N-[[5-bromo-2-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine

C15H15BrCl2N2O — CID 63489176

IUPACN-[[5-bromo-2-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Br)cnc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15BrCl2N2O/c1-9(2)19-7-10-5-11(16)8-20-15(10)21-12-3-4-13(17)14(18)6-12/h3-6,8-9,19H,7H2,1-2H3
InChIKeyWJVAIYVMKMVXNE-UHFFFAOYSA-N
MW390.11 g/mol
LogP5.44
Rot. Bonds5

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

N-[[5-bromo-2-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 63489176) has the molecular formula C15H15BrCl2N2O and a molecular weight of 390.11 g/mol. Its IUPAC name is N-[[5-bromo-2-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID63489176
Molecular FormulaC15H15BrCl2N2O
Molecular Weight390.11 g/mol
Exact Mass387.97
IUPAC NameN-[[5-bromo-2-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Br)cnc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15BrCl2N2O/c1-9(2)19-7-10-5-11(16)8-20-15(10)21-12-3-4-13(17)14(18)6-12/h3-6,8-9,19H,7H2,1-2H3
InChIKeyWJVAIYVMKMVXNE-UHFFFAOYSA-N
XLogP5.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.11
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62295659
N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62298160
N-[[5-bromo-2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 107170579
N-[[5-bromo-2-(3,5-difluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62783784
N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 63489168
N-[[5-bromo-2-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 63878321
N-[[5-bromo-2-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propan-2-amine
CID 62292181
1-[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 83134824
N-[[5-bromo-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62290354
N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine
CID 63944292
5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine
CID 82716130
N-[[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 83134584

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-bromo-2-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine (CID 63489176) is N-[[5-bromo-2-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-bromo-2-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-bromo-2-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cc(Br)cnc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[[5-bromo-2-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is WJVAIYVMKMVXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrCl2N2O/c1-9(2)19-7-10-5-11(16)8-20-15(10)21-12-3-4-13(17)14(18)6-12/h3-6,8-9,19H,7H2,1-2H3.
What are the key properties of N-[[5-bromo-2-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[5-bromo-2-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 390.11 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 63489176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).