2-methyl-1-(2-nitrophenyl)pentan-2-amine

C12H18N2O2 — CID 65020088

IUPAC2-methyl-1-(2-nitrophenyl)pentan-2-amine
SMILESCCCC(C)(N)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N2O2/c1-3-8-12(2,13)9-10-6-4-5-7-11(10)14(15)16/h4-7H,3,8-9,13H2,1-2H3
InChIKeyXOWMCHDHOQXLHV-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.65
Rot. Bonds5

About 2-methyl-1-(2-nitrophenyl)pentan-2-amine

2-methyl-1-(2-nitrophenyl)pentan-2-amine (PubChem CID 65020088) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-methyl-1-(2-nitrophenyl)pentan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(2-nitrophenyl)pentan-2-amine
PubChem CID65020088
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-methyl-1-(2-nitrophenyl)pentan-2-amine
SMILESCCCC(C)(N)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N2O2/c1-3-8-12(2,13)9-10-6-4-5-7-11(10)14(15)16/h4-7H,3,8-9,13H2,1-2H3
InChIKeyXOWMCHDHOQXLHV-UHFFFAOYSA-N
XLogP2.65
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-nitro-2-(2,2,2-tribromoethyl)benzene
CID 142647889
2-methyl-1-[(2-nitrophenyl)methoxy]butan-2-amine
CID 64572741
2-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide;hydrochloride
CID 119723180
2-amino-3-methyl-2-[(2-nitrophenyl)methyl]butanoic acid
CID 20532734
2-(diethylamino)-2-methyl-3-(2-nitrophenyl)propanoic acid
CID 84752461
N-(2-hydroxy-2-methylpentyl)-1-(2-nitrophenyl)methanesulfonamide
CID 104624312
methyl 2-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]pentanoate
CID 134034462
3-methyl-3-[2-(2-nitrophenyl)ethylamino]pentan-1-ol
CID 106175866
N-[2-(2-nitrophenyl)ethyl]pentan-1-amine
CID 55145861
methanol;(2-nitrophenyl)methanol
CID 70046885
2,2-dimethyl-N'-[(2-nitrophenyl)methyl]-N'-propylpropane-1,3-diamine
CID 79667471
N-(2-amino-2-ethylbutyl)-1-(2-nitrophenyl)methanesulfonamide
CID 115305942

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-nitrophenyl)pentan-2-amine?
The IUPAC name of 2-methyl-1-(2-nitrophenyl)pentan-2-amine (CID 65020088) is 2-methyl-1-(2-nitrophenyl)pentan-2-amine.
What is the SMILES notation for 2-methyl-1-(2-nitrophenyl)pentan-2-amine?
The canonical SMILES for 2-methyl-1-(2-nitrophenyl)pentan-2-amine is CCCC(C)(N)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-1-(2-nitrophenyl)pentan-2-amine?
The InChIKey is XOWMCHDHOQXLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-8-12(2,13)9-10-6-4-5-7-11(10)14(15)16/h4-7H,3,8-9,13H2,1-2H3.
What are the key properties of 2-methyl-1-(2-nitrophenyl)pentan-2-amine?
2-methyl-1-(2-nitrophenyl)pentan-2-amine has a molecular weight of 222.29 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-nitrophenyl)pentan-2-amine is sourced from PubChem (CID 65020088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).