11-(2-nitrophenoxy)undecan-1-amine

C17H28N2O3 — CID 25180908

IUPAC11-(2-nitrophenoxy)undecan-1-amine
SMILESNCCCCCCCCCCCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H28N2O3/c18-14-10-6-4-2-1-3-5-7-11-15-22-17-13-9-8-12-16(17)19(20)21/h8-9,12-13H,1-7,10-11,14-15,18H2
InChIKeyIFIRHZLXNRPRJE-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.44
Rot. Bonds13

About 11-(2-nitrophenoxy)undecan-1-amine

11-(2-nitrophenoxy)undecan-1-amine (PubChem CID 25180908) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 11-(2-nitrophenoxy)undecan-1-amine.

Molecular Properties

Compound Name11-(2-nitrophenoxy)undecan-1-amine
PubChem CID25180908
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name11-(2-nitrophenoxy)undecan-1-amine
SMILESNCCCCCCCCCCCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H28N2O3/c18-14-10-6-4-2-1-3-5-7-11-15-22-17-13-9-8-12-16(17)19(20)21/h8-9,12-13H,1-7,10-11,14-15,18H2
InChIKeyIFIRHZLXNRPRJE-UHFFFAOYSA-N
XLogP4.44
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-nitrophenoxy)propan-1-ol
CID 18791292
1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
CID 2748735
5-(2-nitrophenoxy)pentanenitrile
CID 60645555
5-(2-nitrophenoxy)pentanoic acid
CID 28971679
N-(3-aminopropyl)-3-(2-nitrophenoxy)propanamide;hydrochloride
CID 119407258
N'-[(2-nitrophenoxy)methyl]ethane-1,2-diamine;hydrochloride
CID 66690758
1-[4-(4-ethoxyphenoxy)butoxy]-2-nitrobenzene
CID 2899468
4-(2-nitrophenoxy)butane-1-sulfonic acid
CID 18954140
1-[8-[bis(chloromethyl)phosphoryl]octoxy]-2-nitrobenzene
CID 10810731
5-(2-nitrophenoxy)pentanehydrazide
CID 63576866
2-hydroxyethyl-[6-(2-nitrophenoxy)hexyl]azanium
CID 2249773
2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline
CID 21205906

Frequently Asked Questions

What is the IUPAC name of 11-(2-nitrophenoxy)undecan-1-amine?
The IUPAC name of 11-(2-nitrophenoxy)undecan-1-amine (CID 25180908) is 11-(2-nitrophenoxy)undecan-1-amine.
What is the SMILES notation for 11-(2-nitrophenoxy)undecan-1-amine?
The canonical SMILES for 11-(2-nitrophenoxy)undecan-1-amine is NCCCCCCCCCCCOc1ccccc1[N+](=O)[O-].
What is the InChIKey of 11-(2-nitrophenoxy)undecan-1-amine?
The InChIKey is IFIRHZLXNRPRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c18-14-10-6-4-2-1-3-5-7-11-15-22-17-13-9-8-12-16(17)19(20)21/h8-9,12-13H,1-7,10-11,14-15,18H2.
What are the key properties of 11-(2-nitrophenoxy)undecan-1-amine?
11-(2-nitrophenoxy)undecan-1-amine has a molecular weight of 308.42 g/mol, XLogP of 4.44, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-nitrophenoxy)undecan-1-amine is sourced from PubChem (CID 25180908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).