N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-1-amine

C15H16BrClN2O — CID 114857412

IUPACN-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Cl)cc1Oc1cncc(Br)c1
InChIInChI=1S/C15H16BrClN2O/c1-2-5-18-8-11-3-4-13(17)7-15(11)20-14-6-12(16)9-19-10-14/h3-4,6-7,9-10,18H,2,5,8H2,1H3
InChIKeySDPGOIADDNDRSR-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.79
Rot. Bonds6

About N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-1-amine

N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-1-amine (PubChem CID 114857412) 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-1-amine.

Molecular Properties

Compound NameN-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-1-amine
PubChem CID114857412
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC NameN-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Cl)cc1Oc1cncc(Br)c1
InChIInChI=1S/C15H16BrClN2O/c1-2-5-18-8-11-3-4-13(17)7-15(11)20-14-6-12(16)9-19-10-14/h3-4,6-7,9-10,18H,2,5,8H2,1H3
InChIKeySDPGOIADDNDRSR-UHFFFAOYSA-N
XLogP4.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-2-amine
CID 114857427
N-[[4-bromo-2-(3-chlorophenoxy)phenyl]methyl]propan-1-amine
CID 43283242
N-[[4-chloro-2-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-1-amine
CID 114857831
N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine
CID 81250184
N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 114857168
2-[(5-bromo-3-pyridinyl)oxy]-4-chloroaniline
CID 115469300
1-[2-[(5-bromo-3-pyridinyl)oxy]-5-chlorophenyl]butan-2-amine
CID 114863283
N-[[5-[(5-bromo-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-1-amine
CID 107382196
N-[[4-bromo-2-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-1-amine
CID 116793140
N-[[4-bromo-2-(4-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 43283161
N-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81251291
N-[[4-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 114857443

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-1-amine (CID 114857412) is N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-1-amine is CCCNCc1ccc(Cl)cc1Oc1cncc(Br)c1.
What is the InChIKey of N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-1-amine?
The InChIKey is SDPGOIADDNDRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-2-5-18-8-11-3-4-13(17)7-15(11)20-14-6-12(16)9-19-10-14/h3-4,6-7,9-10,18H,2,5,8H2,1H3.
What are the key properties of N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-1-amine?
N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-1-amine has a molecular weight of 355.66 g/mol, XLogP of 4.79, 6 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-1-amine is sourced from PubChem (CID 114857412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).