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

C15H15BrCl2N2O — CID 63489529

IUPACN-[[6-(2-bromo-4-chlorophenoxy)-3-chloro-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(Oc2ccc(Cl)cc2Br)ccc1Cl
InChIInChI=1S/C15H15BrCl2N2O/c1-2-7-19-9-13-12(18)4-6-15(20-13)21-14-5-3-10(17)8-11(14)16/h3-6,8,19H,2,7,9H2,1H3
InChIKeyDYVMISYMTFKOEI-UHFFFAOYSA-N
MW390.11 g/mol
LogP5.44
Rot. Bonds6

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

N-[[6-(2-bromo-4-chlorophenoxy)-3-chloro-2-pyridinyl]methyl]propan-1-amine (PubChem CID 63489529) has the molecular formula C15H15BrCl2N2O and a molecular weight of 390.11 g/mol. Its IUPAC name is N-[[6-(2-bromo-4-chlorophenoxy)-3-chloro-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(2-bromo-4-chlorophenoxy)-3-chloro-2-pyridinyl]methyl]propan-1-amine
PubChem CID63489529
Molecular FormulaC15H15BrCl2N2O
Molecular Weight390.11 g/mol
Exact Mass387.97
IUPAC NameN-[[6-(2-bromo-4-chlorophenoxy)-3-chloro-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(Oc2ccc(Cl)cc2Br)ccc1Cl
InChIInChI=1S/C15H15BrCl2N2O/c1-2-7-19-9-13-12(18)4-6-15(20-13)21-14-5-3-10(17)8-11(14)16/h3-6,8,19H,2,7,9H2,1H3
InChIKeyDYVMISYMTFKOEI-UHFFFAOYSA-N
XLogP5.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.11
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-chloro-6-(4-chlorophenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62296779
1-[6-(2-bromo-4-methylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine
CID 62322384
N-[[3-chloro-6-(4-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62298286
4-(2-bromo-4-chlorophenoxy)-N-propylpyrimidin-2-amine
CID 80881715
N-[[3-(2-bromo-4-chlorophenoxy)-4-methylphenyl]methyl]propan-1-amine
CID 105406866
N-[[5-(2-bromo-4-chlorophenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80620748
6-(2-bromo-4-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881961
N-[[3-chloro-6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 62297317
N-[[3-(2-bromo-4-chlorophenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 106533376
N-[[3-chloro-6-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62288773
N-[[3-chloro-6-(4-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 63488284
N-[(6-but-3-enoxy-3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 62289677

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-bromo-4-chlorophenoxy)-3-chloro-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(2-bromo-4-chlorophenoxy)-3-chloro-2-pyridinyl]methyl]propan-1-amine (CID 63489529) is N-[[6-(2-bromo-4-chlorophenoxy)-3-chloro-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(2-bromo-4-chlorophenoxy)-3-chloro-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(2-bromo-4-chlorophenoxy)-3-chloro-2-pyridinyl]methyl]propan-1-amine is CCCNCc1nc(Oc2ccc(Cl)cc2Br)ccc1Cl.
What is the InChIKey of N-[[6-(2-bromo-4-chlorophenoxy)-3-chloro-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is DYVMISYMTFKOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrCl2N2O/c1-2-7-19-9-13-12(18)4-6-15(20-13)21-14-5-3-10(17)8-11(14)16/h3-6,8,19H,2,7,9H2,1H3.
What are the key properties of N-[[6-(2-bromo-4-chlorophenoxy)-3-chloro-2-pyridinyl]methyl]propan-1-amine?
N-[[6-(2-bromo-4-chlorophenoxy)-3-chloro-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 390.11 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-bromo-4-chlorophenoxy)-3-chloro-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 63489529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).