(1S)-1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-amine

C15H17N3O3 — CID 103938047

IUPAC(1S)-1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(Oc2c(C)cccc2[N+](=O)[O-])cn1
InChIInChI=1S/C15H17N3O3/c1-3-12(16)13-8-7-11(9-17-13)21-15-10(2)5-4-6-14(15)18(19)20/h4-9,12H,3,16H2,1-2H3/t12-/m0/s1
InChIKeySWMYUMIZNASYDD-LBPRGKRZSA-N
MW287.32 g/mol
LogP3.50
Rot. Bonds5

About (1S)-1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-amine

(1S)-1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-amine (PubChem CID 103938047) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (1S)-1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-amine
PubChem CID103938047
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(1S)-1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(Oc2c(C)cccc2[N+](=O)[O-])cn1
InChIInChI=1S/C15H17N3O3/c1-3-12(16)13-8-7-11(9-17-13)21-15-10(2)5-4-6-14(15)18(19)20/h4-9,12H,3,16H2,1-2H3/t12-/m0/s1
InChIKeySWMYUMIZNASYDD-LBPRGKRZSA-N
XLogP3.50
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940584
1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83123552
1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine
CID 115940057
1-[5-(2-chloro-6-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 107717322
1-[5-(2-fluoro-6-nitrophenoxy)-2-pyridinyl]ethanamine
CID 104831856
(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]propan-1-amine
CID 103937946
(1S)-1-[5-(2-methyl-3-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 103939202
(1S)-1-(4-methyl-5-nitro-2-pyridinyl)propan-1-amine
CID 130624745
4-[[6-(1-aminopropyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile
CID 115940162
(1R)-1-[5-(2,3-dichlorophenoxy)-2-pyridinyl]propan-1-amine
CID 103937652
1-[5-(3-methoxyphenoxy)-2-pyridinyl]propan-1-amine
CID 112584748
(1S)-1-[5-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine
CID 103938021

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-amine?
The IUPAC name of (1S)-1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-amine (CID 103938047) is (1S)-1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-amine?
The canonical SMILES for (1S)-1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-amine is CC[C@H](N)c1ccc(Oc2c(C)cccc2[N+](=O)[O-])cn1.
What is the InChIKey of (1S)-1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-amine?
The InChIKey is SWMYUMIZNASYDD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-12(16)13-8-7-11(9-17-13)21-15-10(2)5-4-6-14(15)18(19)20/h4-9,12H,3,16H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-amine?
(1S)-1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-amine has a molecular weight of 287.32 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 103938047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).