N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine

C15H16Cl2N2O — CID 62297479

IUPACN-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(Oc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2O/c1-2-7-18-9-11-8-13(17)15(19-10-11)20-14-6-4-3-5-12(14)16/h3-6,8,10,18H,2,7,9H2,1H3
InChIKeyWTEWPHRPNZVSAX-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.68
Rot. Bonds6

About N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine

N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62297479) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID62297479
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC NameN-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(Oc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2O/c1-2-7-18-9-11-8-13(17)15(19-10-11)20-14-6-4-3-5-12(14)16/h3-6,8,10,18H,2,7,9H2,1H3
InChIKeyWTEWPHRPNZVSAX-UHFFFAOYSA-N
XLogP4.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.68
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-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62295927
N-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine
CID 62298131
N-[[3-(2-chlorophenoxy)phenyl]methyl]propan-1-amine
CID 63944074
N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 55058407
N-[[4-(2-chlorophenoxy)phenyl]methyl]propan-1-amine
CID 43282969
N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82007112
N-[[5-methyl-6-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 80637131
N-[[5-chloro-6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62290699
1-[[3-chloro-5-(propylaminomethyl)-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
CID 79679769
N-[[6-(4-bromo-2-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321679
N-[[2-(2-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83189598
N-[[5-chloro-6-(oxan-4-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 62287711

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine (CID 62297479) is N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnc(Oc2ccccc2Cl)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is WTEWPHRPNZVSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-2-7-18-9-11-8-13(17)15(19-10-11)20-14-6-4-3-5-12(14)16/h3-6,8,10,18H,2,7,9H2,1H3.
What are the key properties of N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 311.21 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62297479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).