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

C15H16BrClN2O — CID 114857427

IUPACN-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Cl)cc1Oc1cncc(Br)c1
InChIInChI=1S/C15H16BrClN2O/c1-10(2)19-7-11-3-4-13(17)6-15(11)20-14-5-12(16)8-18-9-14/h3-6,8-10,19H,7H2,1-2H3
InChIKeyHRIPBSPSNSAYRA-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.79
Rot. Bonds5

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

N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-2-amine (PubChem CID 114857427) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-2-amine
PubChem CID114857427
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC NameN-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Cl)cc1Oc1cncc(Br)c1
InChIInChI=1S/C15H16BrClN2O/c1-10(2)19-7-11-3-4-13(17)6-15(11)20-14-5-12(16)8-18-9-14/h3-6,8-10,19H,7H2,1-2H3
InChIKeyHRIPBSPSNSAYRA-UHFFFAOYSA-N
XLogP4.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-1-amine
CID 114857412
N-[[2-(3-bromo-5-fluorophenoxy)-4-chlorophenyl]methyl]propan-2-amine
CID 114857583
N-[[4-[(5-bromo-3-pyridinyl)oxy]-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81251108
N-[[2-[(5-bromo-3-pyridinyl)oxy]-5-chloro-4-pyridinyl]methyl]propan-2-amine
CID 114928733
N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855683
2-[(5-bromo-3-pyridinyl)oxy]-4-chloroaniline
CID 115469300
N-[[4-chloro-2-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855809
N-[[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]methyl]propan-2-amine
CID 114857581
N-[[5-(5-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 114674391
1-[2-[(5-bromo-3-pyridinyl)oxy]-5-chlorophenyl]butan-2-amine
CID 114863283
N-[[3-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075221
N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 63489168

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-2-amine (CID 114857427) is N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-2-amine is CC(C)NCc1ccc(Cl)cc1Oc1cncc(Br)c1.
What is the InChIKey of N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-2-amine?
The InChIKey is HRIPBSPSNSAYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-10(2)19-7-11-3-4-13(17)6-15(11)20-14-5-12(16)8-18-9-14/h3-6,8-10,19H,7H2,1-2H3.
What are the key properties of N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-2-amine?
N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-2-amine has a molecular weight of 355.66 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 114857427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).