N,N-dimethyl-2-(2-methyl-5-nitrophenyl)ethenamine

C11H14N2O2 — CID 123915141

IUPACN,N-dimethyl-2-(2-methyl-5-nitrophenyl)ethenamine
SMILESCc1ccc([N+](=O)[O-])cc1C=CN(C)C
InChIInChI=1S/C11H14N2O2/c1-9-4-5-11(13(14)15)8-10(9)6-7-12(2)3/h4-8H,1-3H3
InChIKeyGXYBWFICICRBTL-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.44
Rot. Bonds3

About N,N-dimethyl-2-(2-methyl-5-nitrophenyl)ethenamine

N,N-dimethyl-2-(2-methyl-5-nitrophenyl)ethenamine (PubChem CID 123915141) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methyl-5-nitrophenyl)ethenamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methyl-5-nitrophenyl)ethenamine
PubChem CID123915141
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC NameN,N-dimethyl-2-(2-methyl-5-nitrophenyl)ethenamine
SMILESCc1ccc([N+](=O)[O-])cc1C=CN(C)C
InChIInChI=1S/C11H14N2O2/c1-9-4-5-11(13(14)15)8-10(9)6-7-12(2)3/h4-8H,1-3H3
InChIKeyGXYBWFICICRBTL-UHFFFAOYSA-N
XLogP2.44
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
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

(E)-2-(2-chloro-4-nitrophenyl)-N,N-dimethylethenamine
CID 11310699
1-methyl-4-nitro-2-(2-phenylethenyl)benzene
CID 816813
(Z)-N,N-dimethyl-2-(4-nitrophenyl)ethenamine
CID 129396648
1,2-dimethyl-4-nitrobenzene;ethane
CID 90784792
N,N-dimethyl-2-(5-nitro-1,3-benzoxazol-2-yl)ethenamine
CID 86008495
N,N-dihydroxy-2-methyl-5-nitroaniline
CID 87329382
(E)-2-(2-bromo-3,4-dimethyl-6-nitrophenyl)-N,N-dimethylethenamine
CID 134325904
1-methyl-2-[2-(2-methyl-5-nitrophenyl)ethyl]-4-nitrobenzene
CID 22217045
(E)-2-(2,5-dichloro-4-nitrophenyl)-N,N-dimethylethenamine
CID 10563333
2-[2-(2,5-dimethylphenyl)ethenyl]-6-nitro-1,3-benzothiazole
CID 5034143
2-methyl-5-nitroaniline sulfate
CID 20841862
N-(2-methyl-5-nitrophenyl)ethanimine
CID 52920639

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methyl-5-nitrophenyl)ethenamine?
The IUPAC name of N,N-dimethyl-2-(2-methyl-5-nitrophenyl)ethenamine (CID 123915141) is N,N-dimethyl-2-(2-methyl-5-nitrophenyl)ethenamine.
What is the SMILES notation for N,N-dimethyl-2-(2-methyl-5-nitrophenyl)ethenamine?
The canonical SMILES for N,N-dimethyl-2-(2-methyl-5-nitrophenyl)ethenamine is Cc1ccc([N+](=O)[O-])cc1C=CN(C)C.
What is the InChIKey of N,N-dimethyl-2-(2-methyl-5-nitrophenyl)ethenamine?
The InChIKey is GXYBWFICICRBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-9-4-5-11(13(14)15)8-10(9)6-7-12(2)3/h4-8H,1-3H3.
What are the key properties of N,N-dimethyl-2-(2-methyl-5-nitrophenyl)ethenamine?
N,N-dimethyl-2-(2-methyl-5-nitrophenyl)ethenamine has a molecular weight of 206.24 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methyl-5-nitrophenyl)ethenamine is sourced from PubChem (CID 123915141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).