2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine

C13H14ClN3O — CID 105118874

IUPAC2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine
SMILESCC(Oc1cccc(Cl)c1)C(N)c1cncnc1
InChIInChI=1S/C13H14ClN3O/c1-9(13(15)10-6-16-8-17-7-10)18-12-4-2-3-11(14)5-12/h2-9,13H,15H2,1H3
InChIKeyOGSDTLPYLPOSFT-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.60
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine

2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine (PubChem CID 105118874) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine
PubChem CID105118874
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine
SMILESCC(Oc1cccc(Cl)c1)C(N)c1cncnc1
InChIInChI=1S/C13H14ClN3O/c1-9(13(15)10-6-16-8-17-7-10)18-12-4-2-3-11(14)5-12/h2-9,13H,15H2,1H3
InChIKeyOGSDTLPYLPOSFT-UHFFFAOYSA-N
XLogP2.60
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol
CID 105083696
2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)propan-1-amine
CID 105097009
2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine
CID 105092349
2-(3-chlorophenoxy)-1-(3,5-difluorophenyl)propan-1-amine
CID 105142039
2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine
CID 105094671
2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propan-1-amine
CID 105093487
4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine
CID 105146009
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
(3-propan-2-yloxyphenyl)-pyrimidin-5-ylmethanamine
CID 115827027
2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 102648801
2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 105110798
2-(3-chlorophenoxy)-1-cyclobutylpropan-1-amine
CID 105187467

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine?
The IUPAC name of 2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine (CID 105118874) is 2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine?
The canonical SMILES for 2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine is CC(Oc1cccc(Cl)c1)C(N)c1cncnc1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine?
The InChIKey is OGSDTLPYLPOSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9(13(15)10-6-16-8-17-7-10)18-12-4-2-3-11(14)5-12/h2-9,13H,15H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine?
2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine has a molecular weight of 263.73 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine is sourced from PubChem (CID 105118874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).