3-(5-nitro-2-phenoxyphenyl)propan-1-amine

C15H16N2O3 — CID 170867550

IUPAC3-(5-nitro-2-phenoxyphenyl)propan-1-amine
SMILESNCCCc1cc([N+](=O)[O-])ccc1Oc1ccccc1
InChIInChI=1S/C15H16N2O3/c16-10-4-5-12-11-13(17(18)19)8-9-15(12)20-14-6-2-1-3-7-14/h1-3,6-9,11H,4-5,10,16H2
InChIKeyILUBJQGXUGEVAI-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.28
Rot. Bonds6

About 3-(5-nitro-2-phenoxyphenyl)propan-1-amine

3-(5-nitro-2-phenoxyphenyl)propan-1-amine (PubChem CID 170867550) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-(5-nitro-2-phenoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-nitro-2-phenoxyphenyl)propan-1-amine
PubChem CID170867550
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-(5-nitro-2-phenoxyphenyl)propan-1-amine
SMILESNCCCc1cc([N+](=O)[O-])ccc1Oc1ccccc1
InChIInChI=1S/C15H16N2O3/c16-10-4-5-12-11-13(17(18)19)8-9-15(12)20-14-6-2-1-3-7-14/h1-3,6-9,11H,4-5,10,16H2
InChIKeyILUBJQGXUGEVAI-UHFFFAOYSA-N
XLogP3.28
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.28
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

3-(5-nitro-2-phenoxyphenyl)-2-oxopropanoic acid
CID 134869534
2-(3-bromopropyl)-1-[2-(3-bromopropyl)-4-nitrophenoxy]-4-nitrobenzene
CID 141129744
4-nitro-1-phenoxy-2-phenylmethoxybenzene
CID 139434061
2-(2-chloroethyl)-1-[2-(2-chloroethyl)-4-nitrophenoxy]-4-nitrobenzene
CID 70700209
chloro-[(5-nitro-2-phenoxyphenyl)methylidene]ruthenium
CID 162435834
[2-(2-chloro-4-nitrophenoxy)phenyl]methanamine
CID 54915300
5-nitro-2-phenoxybenzoyl chloride
CID 21406549
2-(chloromethyl)-1-(4-fluorophenoxy)-4-nitrobenzene
CID 28964827
2-(chloromethyl)-1-(3-chlorophenoxy)-4-nitrobenzene
CID 28964841
2-[2-(2-methoxyphenoxy)-5-nitrophenyl]acetic acid
CID 134869553
2-(bromomethyl)-1-(3-bromophenoxy)-4-nitrobenzene
CID 107087113
2-(3-aminopropyl)-6-bromo-4-nitrophenol
CID 170867456

Frequently Asked Questions

What is the IUPAC name of 3-(5-nitro-2-phenoxyphenyl)propan-1-amine?
The IUPAC name of 3-(5-nitro-2-phenoxyphenyl)propan-1-amine (CID 170867550) is 3-(5-nitro-2-phenoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(5-nitro-2-phenoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(5-nitro-2-phenoxyphenyl)propan-1-amine is NCCCc1cc([N+](=O)[O-])ccc1Oc1ccccc1.
What is the InChIKey of 3-(5-nitro-2-phenoxyphenyl)propan-1-amine?
The InChIKey is ILUBJQGXUGEVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-10-4-5-12-11-13(17(18)19)8-9-15(12)20-14-6-2-1-3-7-14/h1-3,6-9,11H,4-5,10,16H2.
What are the key properties of 3-(5-nitro-2-phenoxyphenyl)propan-1-amine?
3-(5-nitro-2-phenoxyphenyl)propan-1-amine has a molecular weight of 272.30 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-nitro-2-phenoxyphenyl)propan-1-amine is sourced from PubChem (CID 170867550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).