N-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine

C16H18Cl2N2O — CID 79781676

IUPACN-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C16H18Cl2N2O/c1-2-7-19-9-13-4-5-14(10-20-13)21-11-12-3-6-15(17)16(18)8-12/h3-6,8,10,19H,2,7,9,11H2,1H3
InChIKeyKUQGPBIWPCPKLN-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.47
Rot. Bonds7

About N-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine

N-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine (PubChem CID 79781676) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is N-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
PubChem CID79781676
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC NameN-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C16H18Cl2N2O/c1-2-7-19-9-13-4-5-14(10-20-13)21-11-12-3-6-15(17)16(18)8-12/h3-6,8,10,19H,2,7,9,11H2,1H3
InChIKeyKUQGPBIWPCPKLN-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-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 103046448
N-[[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 104796391
N-[[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 114848226
N-[[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79783997
1-[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 107879633
N-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79781849
N-[[6-[(3,4-dichlorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908243
2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol
CID 79782983
N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79783377
N-[[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 107879639
N-[[5-[(4-fluoro-2-methylphenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 114345815
N-[[5-[(3-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 103037879

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine (CID 79781676) is N-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(OCc2ccc(Cl)c(Cl)c2)cn1.
What is the InChIKey of N-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is KUQGPBIWPCPKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-2-7-19-9-13-4-5-14(10-20-13)21-11-12-3-6-15(17)16(18)8-12/h3-6,8,10,19H,2,7,9,11H2,1H3.
What are the key properties of N-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
N-[[5-[(3,4-dichlorophenyl)methoxy]-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-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 79781676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).