(1R)-2,2-dimethyl-1-(2-nitrophenyl)propan-1-amine

C11H16N2O2 — CID 131529509

IUPAC(1R)-2,2-dimethyl-1-(2-nitrophenyl)propan-1-amine
SMILESCC(C)(C)[C@@H](N)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O2/c1-11(2,3)10(12)8-6-4-5-7-9(8)13(14)15/h4-7,10H,12H2,1-3H3/t10-/m0/s1
InChIKeyYFPIJUDAUABOCS-JTQLQIEISA-N
MW208.26 g/mol
LogP2.64
Rot. Bonds2

About (1R)-2,2-dimethyl-1-(2-nitrophenyl)propan-1-amine

(1R)-2,2-dimethyl-1-(2-nitrophenyl)propan-1-amine (PubChem CID 131529509) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-1-(2-nitrophenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-1-(2-nitrophenyl)propan-1-amine
PubChem CID131529509
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(1R)-2,2-dimethyl-1-(2-nitrophenyl)propan-1-amine
SMILESCC(C)(C)[C@@H](N)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O2/c1-11(2,3)10(12)8-6-4-5-7-9(8)13(14)15/h4-7,10H,12H2,1-3H3/t10-/m0/s1
InChIKeyYFPIJUDAUABOCS-JTQLQIEISA-N
XLogP2.64
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.64
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

(3S)-3-amino-2,2-dimethyl-3-(2-nitrophenyl)propan-1-ol
CID 171245634
(1S)-2,2,3,3,3-pentafluoro-1-(2-nitrophenyl)propan-1-amine
CID 171311381
(1S)-1-(2-nitrophenyl)prop-2-en-1-amine
CID 131167778
methyl (3S)-3-amino-2,2-dimethyl-3-(2-nitrophenyl)propanoate;hydrochloride
CID 171245626
(1S)-1-(5-fluoro-2-nitrophenyl)-2,2-dimethylpropan-1-amine
CID 131466473
(1S,2S)-1-amino-1-(2-nitrophenyl)propan-2-ol
CID 55270082
methyl (2S)-2-amino-2-(2-nitrophenyl)acetate;hydrochloride
CID 171198321
methyl 2-amino-2-(2-nitrophenyl)acetate;hydrochloride
CID 86767617
1-(dibromomethyl)-2-nitrobenzene
CID 11066341
(S)-diethoxyphosphoryl-(2-nitrophenyl)methanamine
CID 171191620
1-(1-methoxy-2-methylpropyl)-2-nitrobenzene
CID 173058022
(1S)-1-(2-nitrophenyl)propane-1,3-diamine;hydrochloride
CID 171217794

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-1-(2-nitrophenyl)propan-1-amine?
The IUPAC name of (1R)-2,2-dimethyl-1-(2-nitrophenyl)propan-1-amine (CID 131529509) is (1R)-2,2-dimethyl-1-(2-nitrophenyl)propan-1-amine.
What is the SMILES notation for (1R)-2,2-dimethyl-1-(2-nitrophenyl)propan-1-amine?
The canonical SMILES for (1R)-2,2-dimethyl-1-(2-nitrophenyl)propan-1-amine is CC(C)(C)[C@@H](N)c1ccccc1[N+](=O)[O-].
What is the InChIKey of (1R)-2,2-dimethyl-1-(2-nitrophenyl)propan-1-amine?
The InChIKey is YFPIJUDAUABOCS-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,3)10(12)8-6-4-5-7-9(8)13(14)15/h4-7,10H,12H2,1-3H3/t10-/m0/s1.
What are the key properties of (1R)-2,2-dimethyl-1-(2-nitrophenyl)propan-1-amine?
(1R)-2,2-dimethyl-1-(2-nitrophenyl)propan-1-amine has a molecular weight of 208.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-1-(2-nitrophenyl)propan-1-amine is sourced from PubChem (CID 131529509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).