2-[(dipropylamino)methyl]-N-methyl-6-nitroaniline

C14H23N3O2 — CID 107350713

IUPAC2-[(dipropylamino)methyl]-N-methyl-6-nitroaniline
SMILESCCCN(CCC)Cc1cccc([N+](=O)[O-])c1NC
InChIInChI=1S/C14H23N3O2/c1-4-9-16(10-5-2)11-12-7-6-8-13(17(18)19)14(12)15-3/h6-8,15H,4-5,9-11H2,1-3H3
InChIKeyUQTMDFUWIQSXIT-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.26
Rot. Bonds8

About 2-[(dipropylamino)methyl]-N-methyl-6-nitroaniline

2-[(dipropylamino)methyl]-N-methyl-6-nitroaniline (PubChem CID 107350713) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(dipropylamino)methyl]-N-methyl-6-nitroaniline.

Molecular Properties

Compound Name2-[(dipropylamino)methyl]-N-methyl-6-nitroaniline
PubChem CID107350713
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[(dipropylamino)methyl]-N-methyl-6-nitroaniline
SMILESCCCN(CCC)Cc1cccc([N+](=O)[O-])c1NC
InChIInChI=1S/C14H23N3O2/c1-4-9-16(10-5-2)11-12-7-6-8-13(17(18)19)14(12)15-3/h6-8,15H,4-5,9-11H2,1-3H3
InChIKeyUQTMDFUWIQSXIT-UHFFFAOYSA-N
XLogP3.26
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.26
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'}

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Related Compounds

2-[butyl-[[2-(methylamino)-3-nitrophenyl]methyl]amino]ethanol
CID 107351000
2-[[butan-2-yl(butyl)amino]methyl]-N-methyl-6-nitroaniline
CID 107351219
N'-[(2-amino-3-nitrophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 107351082
2-[cyanomethyl-[[2-(ethylamino)-3-nitrophenyl]methyl]amino]acetonitrile
CID 107350737
methyl 2-[(2-nitrophenyl)methyl-propylamino]acetate
CID 61035687
N-methyl-2-[[methyl-(2-methylcyclohexyl)amino]methyl]-6-nitroaniline
CID 107351113
N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline
CID 107350871
N,N,N'-trimethyl-N'-[[3-nitro-2-(propylamino)phenyl]methyl]ethane-1,2-diamine
CID 107351328
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-6-nitroaniline
CID 107351326
1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
CID 107353006
N-methyl-N-[[2-(methylamino)-3-nitrophenyl]methyl]-1,1-dioxothiolan-3-amine
CID 107350912
N,2-dimethyl-N-[[2-(methylamino)-3-nitrophenyl]methyl]oxolan-3-amine
CID 107351494

Frequently Asked Questions

What is the IUPAC name of 2-[(dipropylamino)methyl]-N-methyl-6-nitroaniline?
The IUPAC name of 2-[(dipropylamino)methyl]-N-methyl-6-nitroaniline (CID 107350713) is 2-[(dipropylamino)methyl]-N-methyl-6-nitroaniline.
What is the SMILES notation for 2-[(dipropylamino)methyl]-N-methyl-6-nitroaniline?
The canonical SMILES for 2-[(dipropylamino)methyl]-N-methyl-6-nitroaniline is CCCN(CCC)Cc1cccc([N+](=O)[O-])c1NC.
What is the InChIKey of 2-[(dipropylamino)methyl]-N-methyl-6-nitroaniline?
The InChIKey is UQTMDFUWIQSXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-9-16(10-5-2)11-12-7-6-8-13(17(18)19)14(12)15-3/h6-8,15H,4-5,9-11H2,1-3H3.
What are the key properties of 2-[(dipropylamino)methyl]-N-methyl-6-nitroaniline?
2-[(dipropylamino)methyl]-N-methyl-6-nitroaniline has a molecular weight of 265.36 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dipropylamino)methyl]-N-methyl-6-nitroaniline is sourced from PubChem (CID 107350713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).