N-methyl-1-(2-methyl-3-nitrophenyl)methanamine

C9H12N2O2 — CID 43508926

IUPACN-methyl-1-(2-methyl-3-nitrophenyl)methanamine
SMILESCNCc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C9H12N2O2/c1-7-8(6-10-2)4-3-5-9(7)11(12)13/h3-5,10H,6H2,1-2H3
InChIKeyOSLWUZVHZRNDCQ-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.62
Rot. Bonds3

About N-methyl-1-(2-methyl-3-nitrophenyl)methanamine

N-methyl-1-(2-methyl-3-nitrophenyl)methanamine (PubChem CID 43508926) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-3-nitrophenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-3-nitrophenyl)methanamine
PubChem CID43508926
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-methyl-1-(2-methyl-3-nitrophenyl)methanamine
SMILESCNCc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C9H12N2O2/c1-7-8(6-10-2)4-3-5-9(7)11(12)13/h3-5,10H,6H2,1-2H3
InChIKeyOSLWUZVHZRNDCQ-UHFFFAOYSA-N
XLogP1.62
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.62
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

N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 22170308
N-methyl-1-[1-[(2-methyl-3-nitrophenyl)methyl]pyrrol-2-yl]methanamine
CID 66401344
N-methyl-1-[1-[(2-methyl-3-nitrophenyl)methyl]pyrrol-3-yl]methanamine
CID 66406715
N-[(2-methyl-3-nitrophenyl)methyl]acetamide
CID 103113652
N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine
CID 43509035
N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine
CID 103114558
3,5-dimethyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline
CID 43509012
N-methyl-2-[(2-methyl-3-nitrophenyl)methylamino]propanamide
CID 54950720
2-methyl-2-(methylamino)-N-[(2-methyl-3-nitrophenyl)methyl]propanamide
CID 103109500
1,1-difluoro-3-[(2-methyl-3-nitrophenyl)methylamino]propan-2-ol
CID 114093427
4-[(2-methyl-3-nitrophenyl)methylamino]benzonitrile
CID 43509010
(2R)-2-[(2-methyl-3-nitrophenyl)methylamino]propanoic acid
CID 83194932

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-3-nitrophenyl)methanamine?
The IUPAC name of N-methyl-1-(2-methyl-3-nitrophenyl)methanamine (CID 43508926) is N-methyl-1-(2-methyl-3-nitrophenyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-3-nitrophenyl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyl-3-nitrophenyl)methanamine is CNCc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of N-methyl-1-(2-methyl-3-nitrophenyl)methanamine?
The InChIKey is OSLWUZVHZRNDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7-8(6-10-2)4-3-5-9(7)11(12)13/h3-5,10H,6H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyl-3-nitrophenyl)methanamine?
N-methyl-1-(2-methyl-3-nitrophenyl)methanamine has a molecular weight of 180.21 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-3-nitrophenyl)methanamine is sourced from PubChem (CID 43508926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).