1-[2-(4-nitrophenoxy)phenyl]propan-1-amine

C15H16N2O3 — CID 115995641

IUPAC1-[2-(4-nitrophenoxy)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H16N2O3/c1-2-14(16)13-5-3-4-6-15(13)20-12-9-7-11(8-10-12)17(18)19/h3-10,14H,2,16H2,1H3
InChIKeyYDXSCLRLOZIGOO-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.80
Rot. Bonds5

About 1-[2-(4-nitrophenoxy)phenyl]propan-1-amine

1-[2-(4-nitrophenoxy)phenyl]propan-1-amine (PubChem CID 115995641) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[2-(4-nitrophenoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-(4-nitrophenoxy)phenyl]propan-1-amine
PubChem CID115995641
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-[2-(4-nitrophenoxy)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H16N2O3/c1-2-14(16)13-5-3-4-6-15(13)20-12-9-7-11(8-10-12)17(18)19/h3-10,14H,2,16H2,1H3
InChIKeyYDXSCLRLOZIGOO-UHFFFAOYSA-N
XLogP3.80
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(1S)-1-[2-(2-fluoro-4-nitrophenoxy)phenyl]propan-1-amine
CID 103959346
1-[2-(2-chloro-5-nitrophenoxy)phenyl]propan-1-amine
CID 115995697
(1S)-1-[2-(2-nitrophenoxy)phenyl]propan-1-amine
CID 103739059
(1R)-1-[2-(4-methylsulfonylphenoxy)phenyl]propan-1-amine
CID 103959322
(1S)-1-[2-(4-propan-2-ylphenoxy)phenyl]propan-1-amine
CID 103959232
1-[2-(3-methyl-2-nitrophenoxy)phenyl]propan-1-amine
CID 115995653
(1R)-1-[2-(2-bromo-6-nitrophenoxy)phenyl]propan-1-amine
CID 103959439
(1S)-1-[2-(5-chloro-2-nitrophenoxy)phenyl]propan-1-amine
CID 103959372
(1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 103959252
1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 112678409
1-(2-methoxy-5-nitrophenyl)propan-1-amine
CID 43825597
(1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine
CID 103959328

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-nitrophenoxy)phenyl]propan-1-amine?
The IUPAC name of 1-[2-(4-nitrophenoxy)phenyl]propan-1-amine (CID 115995641) is 1-[2-(4-nitrophenoxy)phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-(4-nitrophenoxy)phenyl]propan-1-amine?
The canonical SMILES for 1-[2-(4-nitrophenoxy)phenyl]propan-1-amine is CCC(N)c1ccccc1Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-[2-(4-nitrophenoxy)phenyl]propan-1-amine?
The InChIKey is YDXSCLRLOZIGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-14(16)13-5-3-4-6-15(13)20-12-9-7-11(8-10-12)17(18)19/h3-10,14H,2,16H2,1H3.
What are the key properties of 1-[2-(4-nitrophenoxy)phenyl]propan-1-amine?
1-[2-(4-nitrophenoxy)phenyl]propan-1-amine has a molecular weight of 272.30 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-nitrophenoxy)phenyl]propan-1-amine is sourced from PubChem (CID 115995641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).