N-methyl-1-[3-methyl-4-(3-nitrophenyl)phenyl]methanamine

C15H16N2O2 — CID 66479824

IUPACN-methyl-1-[3-methyl-4-(3-nitrophenyl)phenyl]methanamine
SMILESCNCc1ccc(-c2cccc([N+](=O)[O-])c2)c(C)c1
InChIInChI=1S/C15H16N2O2/c1-11-8-12(10-16-2)6-7-15(11)13-4-3-5-14(9-13)17(18)19/h3-9,16H,10H2,1-2H3
InChIKeyFBAGPTQRKFIBOC-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.29
Rot. Bonds4

About N-methyl-1-[3-methyl-4-(3-nitrophenyl)phenyl]methanamine

N-methyl-1-[3-methyl-4-(3-nitrophenyl)phenyl]methanamine (PubChem CID 66479824) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-4-(3-nitrophenyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-4-(3-nitrophenyl)phenyl]methanamine
PubChem CID66479824
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-methyl-1-[3-methyl-4-(3-nitrophenyl)phenyl]methanamine
SMILESCNCc1ccc(-c2cccc([N+](=O)[O-])c2)c(C)c1
InChIInChI=1S/C15H16N2O2/c1-11-8-12(10-16-2)6-7-15(11)13-4-3-5-14(9-13)17(18)19/h3-9,16H,10H2,1-2H3
InChIKeyFBAGPTQRKFIBOC-UHFFFAOYSA-N
XLogP3.29
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.29
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'}

Analyze N-methyl-1-[3-methyl-4-(3-nitrophenyl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[3-methyl-4-(3-methylphenyl)phenyl]methanamine
CID 66480423
N-methyl-1-(3-nitrophenyl)methanamine;hydrochloride
CID 522947
4-fluoro-2-methyl-1-(3-nitrophenyl)benzene
CID 57155248
N-methyl-1-(3-methyl-4-naphthalen-2-ylphenyl)methanamine
CID 66481024
N-methyl-1-[4-(3-nitrophenyl)thiophen-2-yl]methanamine
CID 54984954
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770
2,6-dimethyl-N-[(3-nitrophenyl)methyl]aniline
CID 60688842
1-[2-methoxy-5-(3-nitrophenyl)phenyl]-N-methylmethanamine
CID 61385585
1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene
CID 23565474
1-ethyl-3-(methylaminomethyl)-6-(3-nitrophenyl)pyridin-2-one
CID 82517103
N-methyl-1-[3-methyl-4-(3-methyl-2-nitrophenoxy)phenyl]methanamine
CID 62125465
N-methyl-1-[4-methyl-3-(4-nitrophenoxy)phenyl]methanamine
CID 105407116

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-4-(3-nitrophenyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-4-(3-nitrophenyl)phenyl]methanamine (CID 66479824) is N-methyl-1-[3-methyl-4-(3-nitrophenyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-4-(3-nitrophenyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-4-(3-nitrophenyl)phenyl]methanamine is CNCc1ccc(-c2cccc([N+](=O)[O-])c2)c(C)c1.
What is the InChIKey of N-methyl-1-[3-methyl-4-(3-nitrophenyl)phenyl]methanamine?
The InChIKey is FBAGPTQRKFIBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-8-12(10-16-2)6-7-15(11)13-4-3-5-14(9-13)17(18)19/h3-9,16H,10H2,1-2H3.
What are the key properties of N-methyl-1-[3-methyl-4-(3-nitrophenyl)phenyl]methanamine?
N-methyl-1-[3-methyl-4-(3-nitrophenyl)phenyl]methanamine has a molecular weight of 256.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-4-(3-nitrophenyl)phenyl]methanamine is sourced from PubChem (CID 66479824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).