N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine

C15H16Cl2N2O — CID 51051723

IUPACN-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine
SMILESCC(CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1
InChIInChI=1S/C15H16Cl2N2O/c1-11(20-15-4-2-3-7-19-15)9-18-10-12-5-6-13(16)14(17)8-12/h2-8,11,18H,9-10H2,1H3
InChIKeyGDOPUQCTURWFRZ-UHFFFAOYSA-N
MW311.21 g/mol
LogP3.95
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine

N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine (PubChem CID 51051723) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine
PubChem CID51051723
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine
SMILESCC(CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1
InChIInChI=1S/C15H16Cl2N2O/c1-11(20-15-4-2-3-7-19-15)9-18-10-12-5-6-13(16)14(17)8-12/h2-8,11,18H,9-10H2,1H3
InChIKeyGDOPUQCTURWFRZ-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine (CID 51051723) is N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine is CC(CNCc1ccc(Cl)c(Cl)c1)Oc1ccccn1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine?
The InChIKey is GDOPUQCTURWFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-11(20-15-4-2-3-7-19-15)9-18-10-12-5-6-13(16)14(17)8-12/h2-8,11,18H,9-10H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine?
N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine has a molecular weight of 311.21 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine is sourced from PubChem (CID 51051723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).