N-[[6-[(3,4-dichlorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine

C16H18Cl2N2O — CID 106908243

IUPACN-[[6-[(3,4-dichlorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(COc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H18Cl2N2O/c1-2-8-19-10-12-4-3-5-13(20-12)11-21-14-6-7-15(17)16(18)9-14/h3-7,9,19H,2,8,10-11H2,1H3
InChIKeyIKCLPLXOLSKKOZ-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.47
Rot. Bonds7

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

N-[[6-[(3,4-dichlorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine (PubChem CID 106908243) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is N-[[6-[(3,4-dichlorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-[(3,4-dichlorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
PubChem CID106908243
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC NameN-[[6-[(3,4-dichlorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(COc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H18Cl2N2O/c1-2-8-19-10-12-4-3-5-13(20-12)11-21-14-6-7-15(17)16(18)9-14/h3-7,9,19H,2,8,10-11H2,1H3
InChIKeyIKCLPLXOLSKKOZ-UHFFFAOYSA-N
XLogP4.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.47
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-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
6-[(3,4-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 79239120
N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908526
N-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781676
N-[[6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908679
N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907958
N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908714
N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908531
N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907788
N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907746
N-[[6-[(2,3-difluorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908315
[6-[(4-chloro-3-ethylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908219

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(3,4-dichlorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-[(3,4-dichlorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine (CID 106908243) is N-[[6-[(3,4-dichlorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-[(3,4-dichlorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-[(3,4-dichlorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cccc(COc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-[[6-[(3,4-dichlorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is IKCLPLXOLSKKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-2-8-19-10-12-4-3-5-13(20-12)11-21-14-6-7-15(17)16(18)9-14/h3-7,9,19H,2,8,10-11H2,1H3.
What are the key properties of N-[[6-[(3,4-dichlorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine?
N-[[6-[(3,4-dichlorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 325.24 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(3,4-dichlorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 106908243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).