1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]propan-2-amine

C14H14Cl2N2O — CID 81160569

IUPAC1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Oc2cncc(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O/c1-9(17)4-10-2-3-14(13(16)5-10)19-12-6-11(15)7-18-8-12/h2-3,5-9H,4,17H2,1H3
InChIKeyIEPSGMKMLLFJPT-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.07
Rot. Bonds4

About 1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]propan-2-amine

1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]propan-2-amine (PubChem CID 81160569) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]propan-2-amine
PubChem CID81160569
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Oc2cncc(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O/c1-9(17)4-10-2-3-14(13(16)5-10)19-12-6-11(15)7-18-8-12/h2-3,5-9H,4,17H2,1H3
InChIKeyIEPSGMKMLLFJPT-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-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]propan-2-amine
CID 81166108
3-chloro-5-(2-chloro-4-methylphenoxy)pyridine
CID 143108341
1-[3-chloro-4-(2-ethoxyphenoxy)phenyl]propan-2-amine
CID 81159950
1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-ethylethanamine
CID 64600992
1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]propan-2-amine
CID 80640339
(1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine
CID 78996800
[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]methanamine
CID 82797816
1-[4-(4-chloro-3-methylphenoxy)-3-methylphenyl]propan-2-amine
CID 63816442
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
1-[4-(4-chloro-3,5-dimethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63803663
1-[3-methyl-4-(2,4,5-trichlorophenoxy)phenyl]propan-2-amine
CID 63816275
1-[3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine
CID 116804291

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]propan-2-amine (CID 81160569) is 1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]propan-2-amine is CC(N)Cc1ccc(Oc2cncc(Cl)c2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]propan-2-amine?
The InChIKey is IEPSGMKMLLFJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-9(17)4-10-2-3-14(13(16)5-10)19-12-6-11(15)7-18-8-12/h2-3,5-9H,4,17H2,1H3.
What are the key properties of 1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]propan-2-amine?
1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]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-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]propan-2-amine is sourced from PubChem (CID 81160569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).