N-butyl-2-methoxy-4-nitroaniline

C11H16N2O3 — CID 43720101

IUPACN-butyl-2-methoxy-4-nitroaniline
SMILESCCCCNc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C11H16N2O3/c1-3-4-7-12-10-6-5-9(13(14)15)8-11(10)16-2/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyDLBYDSRFSDIJTA-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.82
Rot. Bonds6

About N-butyl-2-methoxy-4-nitroaniline

N-butyl-2-methoxy-4-nitroaniline (PubChem CID 43720101) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-butyl-2-methoxy-4-nitroaniline.

Molecular Properties

Compound NameN-butyl-2-methoxy-4-nitroaniline
PubChem CID43720101
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-butyl-2-methoxy-4-nitroaniline
SMILESCCCCNc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C11H16N2O3/c1-3-4-7-12-10-6-5-9(13(14)15)8-11(10)16-2/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyDLBYDSRFSDIJTA-UHFFFAOYSA-N
XLogP2.82
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-(3-methylbutyl)-4-nitroaniline
CID 43720047
2-methoxy-4-nitro-N-(2-phenylethyl)aniline
CID 43425454
1-N-butyl-4-nitrobenzene-1,2-diamine
CID 15327518
N-(2-methoxy-4-nitrophenyl)undecanamide
CID 4164516
N-(2-methoxy-4-nitrophenyl)octadecanamide
CID 108745127
N-butyl-2-ethylsulfonyl-4-nitroaniline
CID 165086267
N-[(2-ethylphenyl)methyl]-2-methoxy-4-nitroaniline
CID 62391071
N-[(5-ethylfuran-2-yl)methyl]-2-methoxy-4-nitroaniline
CID 62345097
3-[butyl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide
CID 33403782
2-(butylamino)-N-methyl-5-nitrobenzenesulfonamide
CID 155168019
1-ethyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108890439
5-nitro-2-(pentylamino)benzoic acid
CID 29269659

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methoxy-4-nitroaniline?
The IUPAC name of N-butyl-2-methoxy-4-nitroaniline (CID 43720101) is N-butyl-2-methoxy-4-nitroaniline.
What is the SMILES notation for N-butyl-2-methoxy-4-nitroaniline?
The canonical SMILES for N-butyl-2-methoxy-4-nitroaniline is CCCCNc1ccc([N+](=O)[O-])cc1OC.
What is the InChIKey of N-butyl-2-methoxy-4-nitroaniline?
The InChIKey is DLBYDSRFSDIJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-4-7-12-10-6-5-9(13(14)15)8-11(10)16-2/h5-6,8,12H,3-4,7H2,1-2H3.
What are the key properties of N-butyl-2-methoxy-4-nitroaniline?
N-butyl-2-methoxy-4-nitroaniline has a molecular weight of 224.26 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methoxy-4-nitroaniline is sourced from PubChem (CID 43720101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).