1-(2-nitrophenyl)nonan-2-amine

C15H24N2O2 — CID 61078660

IUPAC1-(2-nitrophenyl)nonan-2-amine
SMILESCCCCCCCC(N)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H24N2O2/c1-2-3-4-5-6-10-14(16)12-13-9-7-8-11-15(13)17(18)19/h7-9,11,14H,2-6,10,12,16H2,1H3
InChIKeyUEXSXIMLQBMNBB-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.83
Rot. Bonds9

About 1-(2-nitrophenyl)nonan-2-amine

1-(2-nitrophenyl)nonan-2-amine (PubChem CID 61078660) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(2-nitrophenyl)nonan-2-amine.

Molecular Properties

Compound Name1-(2-nitrophenyl)nonan-2-amine
PubChem CID61078660
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(2-nitrophenyl)nonan-2-amine
SMILESCCCCCCCC(N)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H24N2O2/c1-2-3-4-5-6-10-14(16)12-13-9-7-8-11-15(13)17(18)19/h7-9,11,14H,2-6,10,12,16H2,1H3
InChIKeyUEXSXIMLQBMNBB-UHFFFAOYSA-N
XLogP3.83
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-(2-bromodecyl)-2-nitrobenzene
CID 65428547
1-(2-methylheptyl)-2-nitrobenzene
CID 170184203
1-(2-nitrophenyl)pentan-3-amine
CID 43370528
1-(2-fluorophenyl)-3-(2-nitrophenyl)propan-2-amine
CID 65017800
1-icosan-8-yl-2-nitrobenzene
CID 175494481
1-(2-chlorophenyl)-4-(2-nitrophenyl)butan-2-amine
CID 65017978
N-[(2-nitrophenyl)methyl]nonan-1-amine
CID 60669264
(2S)-4-(2-nitrophenyl)butan-2-amine
CID 93264337
(2-nitrophenyl)methyl N,N-di(heptan-2-yl)carbamate
CID 122693836
N-[(2-methyl-3-nitrophenyl)methyl]octan-2-amine
CID 63491545
1,2-bis(2-nitrophenyl)ethanamine
CID 145318541
2-(2-nitrophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 66475379

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)nonan-2-amine?
The IUPAC name of 1-(2-nitrophenyl)nonan-2-amine (CID 61078660) is 1-(2-nitrophenyl)nonan-2-amine.
What is the SMILES notation for 1-(2-nitrophenyl)nonan-2-amine?
The canonical SMILES for 1-(2-nitrophenyl)nonan-2-amine is CCCCCCCC(N)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-nitrophenyl)nonan-2-amine?
The InChIKey is UEXSXIMLQBMNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-3-4-5-6-10-14(16)12-13-9-7-8-11-15(13)17(18)19/h7-9,11,14H,2-6,10,12,16H2,1H3.
What are the key properties of 1-(2-nitrophenyl)nonan-2-amine?
1-(2-nitrophenyl)nonan-2-amine has a molecular weight of 264.37 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)nonan-2-amine is sourced from PubChem (CID 61078660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).