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

C15H16Cl2N2O — CID 62298106

IUPACN-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(Oc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H16Cl2N2O/c1-2-7-18-10-11-6-8-19-14(9-11)20-13-5-3-4-12(16)15(13)17/h3-6,8-9,18H,2,7,10H2,1H3
InChIKeyUXMGIFCQBYYDSW-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.68
Rot. Bonds6

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

N-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 62298106) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is N-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-1-amine
PubChem CID62298106
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC NameN-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(Oc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H16Cl2N2O/c1-2-7-18-10-11-6-8-19-14(9-11)20-13-5-3-4-12(16)15(13)17/h3-6,8-9,18H,2,7,10H2,1H3
InChIKeyUXMGIFCQBYYDSW-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

1-[2-(2,3-dichlorophenoxy)-4-pyridinyl]-N-methylmethanamine
CID 62297929
N-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62298107
N-[[2-(2-chlorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297828
N-[(2-phenoxy-4-pyridinyl)methyl]propan-1-amine
CID 62296638
1-[2-(2-chlorophenoxy)-4-pyridinyl]-N-methylmethanamine
CID 55058551
N-[[2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 62296337
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 116689946
N-[[2-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297790
N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297631
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116690064
N-[[3-(2-chlorophenoxy)phenyl]methyl]propan-1-amine
CID 63944074
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 116689984

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-1-amine (CID 62298106) is N-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccnc(Oc2cccc(Cl)c2Cl)c1.
What is the InChIKey of N-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is UXMGIFCQBYYDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-2-7-18-10-11-6-8-19-14(9-11)20-13-5-3-4-12(16)15(13)17/h3-6,8-9,18H,2,7,10H2,1H3.
What are the key properties of N-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-1-amine?
N-[[2-(2,3-dichlorophenoxy)-4-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-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62298106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).