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

C15H17ClN2O — CID 64602513

IUPAC1-[(5-chloro-3-pyridinyl)oxy]-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1C(Oc1cncc(Cl)c1)C(C)N
InChIInChI=1S/C15H17ClN2O/c1-10-5-3-4-6-14(10)15(11(2)17)19-13-7-12(16)8-18-9-13/h3-9,11,15H,17H2,1-2H3
InChIKeySIFYMDWCHRAEHF-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.51
Rot. Bonds4

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

1-[(5-chloro-3-pyridinyl)oxy]-1-(2-methylphenyl)propan-2-amine (PubChem CID 64602513) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-[(5-chloro-3-pyridinyl)oxy]-1-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-[(5-chloro-3-pyridinyl)oxy]-1-(2-methylphenyl)propan-2-amine
PubChem CID64602513
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-[(5-chloro-3-pyridinyl)oxy]-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1C(Oc1cncc(Cl)c1)C(C)N
InChIInChI=1S/C15H17ClN2O/c1-10-5-3-4-6-14(10)15(11(2)17)19-13-7-12(16)8-18-9-13/h3-9,11,15H,17H2,1-2H3
InChIKeySIFYMDWCHRAEHF-UHFFFAOYSA-N
XLogP3.51
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-pyridinyl)oxy]-1-(2-methylphenyl)propan-2-amine?
The IUPAC name of 1-[(5-chloro-3-pyridinyl)oxy]-1-(2-methylphenyl)propan-2-amine (CID 64602513) is 1-[(5-chloro-3-pyridinyl)oxy]-1-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-[(5-chloro-3-pyridinyl)oxy]-1-(2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-[(5-chloro-3-pyridinyl)oxy]-1-(2-methylphenyl)propan-2-amine is Cc1ccccc1C(Oc1cncc(Cl)c1)C(C)N.
What is the InChIKey of 1-[(5-chloro-3-pyridinyl)oxy]-1-(2-methylphenyl)propan-2-amine?
The InChIKey is SIFYMDWCHRAEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10-5-3-4-6-14(10)15(11(2)17)19-13-7-12(16)8-18-9-13/h3-9,11,15H,17H2,1-2H3.
What are the key properties of 1-[(5-chloro-3-pyridinyl)oxy]-1-(2-methylphenyl)propan-2-amine?
1-[(5-chloro-3-pyridinyl)oxy]-1-(2-methylphenyl)propan-2-amine has a molecular weight of 276.77 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-pyridinyl)oxy]-1-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 64602513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).