1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine

C15H17ClN2O — CID 80639510

IUPAC1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine
SMILESCc1cc(Cl)ccc1Oc1ccc(CC(C)N)cn1
InChIInChI=1S/C15H17ClN2O/c1-10-7-13(16)4-5-14(10)19-15-6-3-12(9-18-15)8-11(2)17/h3-7,9,11H,8,17H2,1-2H3
InChIKeyTUAVFBHSZMWURN-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.73
Rot. Bonds4

About 1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine

1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine (PubChem CID 80639510) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine
PubChem CID80639510
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine
SMILESCc1cc(Cl)ccc1Oc1ccc(CC(C)N)cn1
InChIInChI=1S/C15H17ClN2O/c1-10-7-13(16)4-5-14(10)19-15-6-3-12(9-18-15)8-11(2)17/h3-7,9,11H,8,17H2,1-2H3
InChIKeyTUAVFBHSZMWURN-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]propan-2-amine
CID 80640339
N-[[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62323244
1-[6-(2,5-difluorophenoxy)-3-pyridinyl]propan-2-amine
CID 80639619
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
5-(4-chloro-2-methylphenoxy)pyrazin-2-amine
CID 80663336
1-[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]butan-2-amine
CID 80640067
6-(4-chloro-2-methylphenoxy)-4-methylpyridin-3-amine
CID 18419480
1-[6-(4-fluorophenoxy)-3-pyridinyl]propan-2-amine
CID 80640056
1-[3-methyl-4-(2,4,5-trichlorophenoxy)phenyl]propan-2-amine
CID 63816275
1-[4-(4-chloro-3,5-dimethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63803663
2-(4-chloro-2-methylphenoxy)-5-nitropyridine
CID 2800136

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine (CID 80639510) is 1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine is Cc1cc(Cl)ccc1Oc1ccc(CC(C)N)cn1.
What is the InChIKey of 1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine?
The InChIKey is TUAVFBHSZMWURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10-7-13(16)4-5-14(10)19-15-6-3-12(9-18-15)8-11(2)17/h3-7,9,11H,8,17H2,1-2H3.
What are the key properties of 1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine?
1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine has a molecular weight of 276.77 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 80639510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).