2-[(dipropylamino)methyl]-N-ethyl-4-nitroaniline

C15H25N3O2 — CID 62183553

IUPAC2-[(dipropylamino)methyl]-N-ethyl-4-nitroaniline
SMILESCCCN(CCC)Cc1cc([N+](=O)[O-])ccc1NCC
InChIInChI=1S/C15H25N3O2/c1-4-9-17(10-5-2)12-13-11-14(18(19)20)7-8-15(13)16-6-3/h7-8,11,16H,4-6,9-10,12H2,1-3H3
InChIKeyGSPBWBNFUDZIIP-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.65
Rot. Bonds9

About 2-[(dipropylamino)methyl]-N-ethyl-4-nitroaniline

2-[(dipropylamino)methyl]-N-ethyl-4-nitroaniline (PubChem CID 62183553) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[(dipropylamino)methyl]-N-ethyl-4-nitroaniline.

Molecular Properties

Compound Name2-[(dipropylamino)methyl]-N-ethyl-4-nitroaniline
PubChem CID62183553
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[(dipropylamino)methyl]-N-ethyl-4-nitroaniline
SMILESCCCN(CCC)Cc1cc([N+](=O)[O-])ccc1NCC
InChIInChI=1S/C15H25N3O2/c1-4-9-17(10-5-2)12-13-11-14(18(19)20)7-8-15(13)16-6-3/h7-8,11,16H,4-6,9-10,12H2,1-3H3
InChIKeyGSPBWBNFUDZIIP-UHFFFAOYSA-N
XLogP3.65
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.65
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-[[2-(methylamino)-5-nitrophenyl]methyl-propylamino]ethanol
CID 55046082
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-nitroaniline
CID 63691754
3-[cyclopropyl-[[2-(ethylamino)-5-nitrophenyl]methyl]amino]propanenitrile
CID 62209599
N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]propan-1-amine
CID 62245318
2-(ethylamino)-N,N-dimethyl-5-nitrobenzenesulfonamide
CID 62148765
N-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-nitroaniline
CID 62183100
1-[[2-(ethylamino)-5-nitrophenyl]methyl]pyrrolidine-2,5-dione
CID 62207983
N-ethyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-4-nitroaniline
CID 62181919
2-[[cyclopropyl(methyl)amino]methyl]-4-nitro-N-propylaniline
CID 62183419
2-(methylamino)-5-nitro-N,N-dipropylbenzenesulfonamide
CID 62150589
2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide
CID 62167944
2-chloro-N-ethyl-5-nitroaniline
CID 43718971

Frequently Asked Questions

What is the IUPAC name of 2-[(dipropylamino)methyl]-N-ethyl-4-nitroaniline?
The IUPAC name of 2-[(dipropylamino)methyl]-N-ethyl-4-nitroaniline (CID 62183553) is 2-[(dipropylamino)methyl]-N-ethyl-4-nitroaniline.
What is the SMILES notation for 2-[(dipropylamino)methyl]-N-ethyl-4-nitroaniline?
The canonical SMILES for 2-[(dipropylamino)methyl]-N-ethyl-4-nitroaniline is CCCN(CCC)Cc1cc([N+](=O)[O-])ccc1NCC.
What is the InChIKey of 2-[(dipropylamino)methyl]-N-ethyl-4-nitroaniline?
The InChIKey is GSPBWBNFUDZIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-9-17(10-5-2)12-13-11-14(18(19)20)7-8-15(13)16-6-3/h7-8,11,16H,4-6,9-10,12H2,1-3H3.
What are the key properties of 2-[(dipropylamino)methyl]-N-ethyl-4-nitroaniline?
2-[(dipropylamino)methyl]-N-ethyl-4-nitroaniline has a molecular weight of 279.38 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dipropylamino)methyl]-N-ethyl-4-nitroaniline is sourced from PubChem (CID 62183553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).