N-[[3-chloro-6-(4-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine

C16H19ClN2O — CID 62298286

IUPACN-[[3-chloro-6-(4-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(Oc2ccc(C)cc2)ccc1Cl
InChIInChI=1S/C16H19ClN2O/c1-3-10-18-11-15-14(17)8-9-16(19-15)20-13-6-4-12(2)5-7-13/h4-9,18H,3,10-11H2,1-2H3
InChIKeyUXFHIGPXEMBNDF-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.34
Rot. Bonds6

About N-[[3-chloro-6-(4-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine

N-[[3-chloro-6-(4-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 62298286) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[[3-chloro-6-(4-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-chloro-6-(4-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine
PubChem CID62298286
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[[3-chloro-6-(4-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(Oc2ccc(C)cc2)ccc1Cl
InChIInChI=1S/C16H19ClN2O/c1-3-10-18-11-15-14(17)8-9-16(19-15)20-13-6-4-12(2)5-7-13/h4-9,18H,3,10-11H2,1-2H3
InChIKeyUXFHIGPXEMBNDF-UHFFFAOYSA-N
XLogP4.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.34
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-[[3-chloro-6-(4-chlorophenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62296779
N-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 55058553
N-[[3-chloro-6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 62297317
N-[[6-(2-bromo-4-chlorophenoxy)-3-chloro-2-pyridinyl]methyl]propan-1-amine
CID 63489529
N-[[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 63487984
N-[[3-chloro-6-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62288773
N-[(6-but-3-enoxy-3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 62289677
1-[6-(4-butylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine
CID 115493229
N-[[3-chloro-6-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 63488284
N-[[3-chloro-6-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]propan-1-amine
CID 82792522
N-[[3-chloro-6-(cyclohexylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 63489698
N-[[3-chloro-6-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 64747184

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(4-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-chloro-6-(4-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine (CID 62298286) is N-[[3-chloro-6-(4-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-chloro-6-(4-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-chloro-6-(4-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1nc(Oc2ccc(C)cc2)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-(4-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is UXFHIGPXEMBNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-3-10-18-11-15-14(17)8-9-16(19-15)20-13-6-4-12(2)5-7-13/h4-9,18H,3,10-11H2,1-2H3.
What are the key properties of N-[[3-chloro-6-(4-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine?
N-[[3-chloro-6-(4-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 290.79 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(4-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62298286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).