N-methyl-4-[[methyl(2-methylbutyl)amino]methyl]-2-nitroaniline

C14H23N3O2 — CID 62182211

IUPACN-methyl-4-[[methyl(2-methylbutyl)amino]methyl]-2-nitroaniline
SMILESCCC(C)CN(C)Cc1ccc(NC)c([N+](=O)[O-])c1
InChIInChI=1S/C14H23N3O2/c1-5-11(2)9-16(4)10-12-6-7-13(15-3)14(8-12)17(18)19/h6-8,11,15H,5,9-10H2,1-4H3
InChIKeyIUIHNOGVRDFZGX-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.11
Rot. Bonds7

About N-methyl-4-[[methyl(2-methylbutyl)amino]methyl]-2-nitroaniline

N-methyl-4-[[methyl(2-methylbutyl)amino]methyl]-2-nitroaniline (PubChem CID 62182211) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-methyl-4-[[methyl(2-methylbutyl)amino]methyl]-2-nitroaniline.

Molecular Properties

Compound NameN-methyl-4-[[methyl(2-methylbutyl)amino]methyl]-2-nitroaniline
PubChem CID62182211
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-methyl-4-[[methyl(2-methylbutyl)amino]methyl]-2-nitroaniline
SMILESCCC(C)CN(C)Cc1ccc(NC)c([N+](=O)[O-])c1
InChIInChI=1S/C14H23N3O2/c1-5-11(2)9-16(4)10-12-6-7-13(15-3)14(8-12)17(18)19/h6-8,11,15H,5,9-10H2,1-4H3
InChIKeyIUIHNOGVRDFZGX-UHFFFAOYSA-N
XLogP3.11
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methyl-4-[[methyl(2-methylbutyl)amino]methyl]-2-nitroaniline 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,N-dimethyl-2-[methyl-[[4-(methylamino)-3-nitrophenyl]methyl]amino]acetamide
CID 62183273
4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-methyl-2-nitroaniline
CID 62182642
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-methylpropan-1-amine
CID 112754591
4-[[ethyl(propyl)amino]methyl]-N-methyl-2-nitroaniline
CID 62182905
4-[[butyl(ethyl)amino]methyl]-N-methyl-2-nitroaniline
CID 62181996
4-[[methyl(propyl)amino]methyl]-2-nitro-N-propylaniline
CID 62183615
N-ethyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-2-nitroaniline
CID 81063031
(2R)-2-[[4-(methylamino)-3-nitrophenyl]methylamino]butan-1-ol
CID 95567452
2-[[ethyl(2-methylbutyl)amino]methyl]-N-methyl-4-nitroaniline
CID 79481333
N-ethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-nitroaniline
CID 62184191
2-[butyl-[[4-(methylamino)-3-nitrophenyl]methyl]amino]acetamide
CID 62184589
N-[(4-bromo-3-nitrophenyl)methyl]-2,2-difluoro-N-methylethanamine
CID 115882440

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl(2-methylbutyl)amino]methyl]-2-nitroaniline?
The IUPAC name of N-methyl-4-[[methyl(2-methylbutyl)amino]methyl]-2-nitroaniline (CID 62182211) is N-methyl-4-[[methyl(2-methylbutyl)amino]methyl]-2-nitroaniline.
What is the SMILES notation for N-methyl-4-[[methyl(2-methylbutyl)amino]methyl]-2-nitroaniline?
The canonical SMILES for N-methyl-4-[[methyl(2-methylbutyl)amino]methyl]-2-nitroaniline is CCC(C)CN(C)Cc1ccc(NC)c([N+](=O)[O-])c1.
What is the InChIKey of N-methyl-4-[[methyl(2-methylbutyl)amino]methyl]-2-nitroaniline?
The InChIKey is IUIHNOGVRDFZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-11(2)9-16(4)10-12-6-7-13(15-3)14(8-12)17(18)19/h6-8,11,15H,5,9-10H2,1-4H3.
What are the key properties of N-methyl-4-[[methyl(2-methylbutyl)amino]methyl]-2-nitroaniline?
N-methyl-4-[[methyl(2-methylbutyl)amino]methyl]-2-nitroaniline has a molecular weight of 265.36 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl(2-methylbutyl)amino]methyl]-2-nitroaniline is sourced from PubChem (CID 62182211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).