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

C14H14Cl2N2O — CID 80640339

IUPAC1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(Oc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C14H14Cl2N2O/c1-9(17)6-10-2-5-14(18-8-10)19-13-4-3-11(15)7-12(13)16/h2-5,7-9H,6,17H2,1H3
InChIKeyMTSIGHNSJAGPJZ-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.07
Rot. Bonds4

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

1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]propan-2-amine (PubChem CID 80640339) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]propan-2-amine
PubChem CID80640339
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(Oc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C14H14Cl2N2O/c1-9(17)6-10-2-5-14(18-8-10)19-13-4-3-11(15)7-12(13)16/h2-5,7-9H,6,17H2,1H3
InChIKeyMTSIGHNSJAGPJZ-UHFFFAOYSA-N
XLogP4.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine
CID 80639510
1-[6-(2,5-difluorophenoxy)-3-pyridinyl]propan-2-amine
CID 80639619
1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058802
5-chloro-2-(2,4-dichlorophenoxy)pyridine
CID 66232986
1-[6-(4-chloro-3-methylphenoxy)-3-pyridinyl]propan-2-amine
CID 80640424
1-[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640546
1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]propan-2-amine
CID 81160569
1-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80639516
1-[6-(4-fluorophenoxy)-3-pyridinyl]propan-2-amine
CID 80640056
[6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol
CID 62672212
N-[[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62322902
5-chloro-N-[2-[6-(2,4-dichlorophenoxy)-3-pyridinyl]ethyl]-6-(difluoromethyl)pyrimidin-4-amine
CID 90131296

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]propan-2-amine (CID 80640339) is 1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]propan-2-amine is CC(N)Cc1ccc(Oc2ccc(Cl)cc2Cl)nc1.
What is the InChIKey of 1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]propan-2-amine?
The InChIKey is MTSIGHNSJAGPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-9(17)6-10-2-5-14(18-8-10)19-13-4-3-11(15)7-12(13)16/h2-5,7-9H,6,17H2,1H3.
What are the key properties of 1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]propan-2-amine?
1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]propan-2-amine has a molecular weight of 297.19 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 80640339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).