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

C15H16Cl2N2O — CID 62296779

IUPACN-[[3-chloro-6-(4-chlorophenoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(Oc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-2-9-18-10-14-13(17)7-8-15(19-14)20-12-5-3-11(16)4-6-12/h3-8,18H,2,9-10H2,1H3
InChIKeyNNGKSIYUHGYVLQ-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.68
Rot. Bonds6

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

N-[[3-chloro-6-(4-chlorophenoxy)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 62296779) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is N-[[3-chloro-6-(4-chlorophenoxy)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-chloro-6-(4-chlorophenoxy)-2-pyridinyl]methyl]propan-1-amine
PubChem CID62296779
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC NameN-[[3-chloro-6-(4-chlorophenoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(Oc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-2-9-18-10-14-13(17)7-8-15(19-14)20-12-5-3-11(16)4-6-12/h3-8,18H,2,9-10H2,1H3
InChIKeyNNGKSIYUHGYVLQ-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-[[3-chloro-6-(4-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62298286
N-[[6-(2-bromo-4-chlorophenoxy)-3-chloro-2-pyridinyl]methyl]propan-1-amine
CID 63489529
N-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 55058553
N-[[3-chloro-6-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62288773
1-[6-(4-butylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine
CID 115493229
N-[(6-but-3-enoxy-3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 62289677
N-[[3-chloro-6-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 63488284
N-[[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 63487984
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-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 65125443
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-chlorophenoxy)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-chloro-6-(4-chlorophenoxy)-2-pyridinyl]methyl]propan-1-amine (CID 62296779) is N-[[3-chloro-6-(4-chlorophenoxy)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-chloro-6-(4-chlorophenoxy)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-chloro-6-(4-chlorophenoxy)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1nc(Oc2ccc(Cl)cc2)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-(4-chlorophenoxy)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is NNGKSIYUHGYVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-2-9-18-10-14-13(17)7-8-15(19-14)20-12-5-3-11(16)4-6-12/h3-8,18H,2,9-10H2,1H3.
What are the key properties of N-[[3-chloro-6-(4-chlorophenoxy)-2-pyridinyl]methyl]propan-1-amine?
N-[[3-chloro-6-(4-chlorophenoxy)-2-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-[[3-chloro-6-(4-chlorophenoxy)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62296779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).