2-methyl-1-(3-nitrophenyl)propan-2-amine

C10H14N2O2 — CID 65015484

IUPAC2-methyl-1-(3-nitrophenyl)propan-2-amine
SMILESCC(C)(N)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H14N2O2/c1-10(2,11)7-8-4-3-5-9(6-8)12(13)14/h3-6H,7,11H2,1-2H3
InChIKeyKRJRRYZFUHLLRZ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.87
Rot. Bonds3

About 2-methyl-1-(3-nitrophenyl)propan-2-amine

2-methyl-1-(3-nitrophenyl)propan-2-amine (PubChem CID 65015484) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-methyl-1-(3-nitrophenyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(3-nitrophenyl)propan-2-amine
PubChem CID65015484
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-methyl-1-(3-nitrophenyl)propan-2-amine
SMILESCC(C)(N)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H14N2O2/c1-10(2,11)7-8-4-3-5-9(6-8)12(13)14/h3-6H,7,11H2,1-2H3
InChIKeyKRJRRYZFUHLLRZ-UHFFFAOYSA-N
XLogP1.87
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.87
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-(2,2-dimethylpropyl)-3-nitrobenzene
CID 13119626
1-(2-methoxy-2-methylpropyl)-3-nitrobenzene
CID 14316807
N-(2-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119628240
diethyl 2-methyl-2-[(3-nitrophenyl)methyl]propanedioate
CID 13119616
2-methyl-2-[(3-nitrophenyl)methyl]pentanoic acid
CID 55106772
1-(3-nitrophenyl)propan-2-amine;hydrochloride
CID 22461228
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-nitrobenzene
CID 14316804
ethyl 2-methyl-2-[(3-nitrophenyl)methyl]but-3-enoate
CID 102639035
2-methyl-3-(3-nitrophenyl)-2-pyrrolidin-1-ylpropanenitrile
CID 84751814
N-[(2-methylpropan-2-yl)oxy]-2-(3-nitrophenyl)acetamide
CID 90891975
1-(3-nitrophenyl)pentan-2-amine
CID 65019651
2-methyl-3-(3-nitrophenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 84747123

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-nitrophenyl)propan-2-amine?
The IUPAC name of 2-methyl-1-(3-nitrophenyl)propan-2-amine (CID 65015484) is 2-methyl-1-(3-nitrophenyl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(3-nitrophenyl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(3-nitrophenyl)propan-2-amine is CC(C)(N)Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-methyl-1-(3-nitrophenyl)propan-2-amine?
The InChIKey is KRJRRYZFUHLLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-10(2,11)7-8-4-3-5-9(6-8)12(13)14/h3-6H,7,11H2,1-2H3.
What are the key properties of 2-methyl-1-(3-nitrophenyl)propan-2-amine?
2-methyl-1-(3-nitrophenyl)propan-2-amine has a molecular weight of 194.23 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-nitrophenyl)propan-2-amine is sourced from PubChem (CID 65015484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).