N-ethyl-2-[[2-methoxyethyl(methyl)amino]methyl]-6-nitroaniline

C13H21N3O3 — CID 107351162

IUPACN-ethyl-2-[[2-methoxyethyl(methyl)amino]methyl]-6-nitroaniline
SMILESCCNc1c(CN(C)CCOC)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H21N3O3/c1-4-14-13-11(10-15(2)8-9-19-3)6-5-7-12(13)16(17)18/h5-7,14H,4,8-10H2,1-3H3
InChIKeySZIHCPRYDIZPJU-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.10
Rot. Bonds8

About N-ethyl-2-[[2-methoxyethyl(methyl)amino]methyl]-6-nitroaniline

N-ethyl-2-[[2-methoxyethyl(methyl)amino]methyl]-6-nitroaniline (PubChem CID 107351162) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-ethyl-2-[[2-methoxyethyl(methyl)amino]methyl]-6-nitroaniline.

Molecular Properties

Compound NameN-ethyl-2-[[2-methoxyethyl(methyl)amino]methyl]-6-nitroaniline
PubChem CID107351162
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-ethyl-2-[[2-methoxyethyl(methyl)amino]methyl]-6-nitroaniline
SMILESCCNc1c(CN(C)CCOC)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H21N3O3/c1-4-14-13-11(10-15(2)8-9-19-3)6-5-7-12(13)16(17)18/h5-7,14H,4,8-10H2,1-3H3
InChIKeySZIHCPRYDIZPJU-UHFFFAOYSA-N
XLogP2.10
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-ethyl-6-nitroaniline
CID 107351125
4-[[2-(ethylamino)-3-nitrophenyl]methyl-methylamino]butan-2-ol
CID 107351567
N-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-6-nitroaniline
CID 107350917
N-ethyl-2-(2-methoxyethoxymethyl)-6-nitroaniline
CID 107352178
2-[[2-(ethylamino)-3-nitrophenyl]methyl-methylamino]acetamide
CID 107350837
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-6-nitroaniline
CID 107351326
N-ethyl-2-[(N-methylanilino)methyl]-6-nitroaniline
CID 107350686
N-ethyl-2-[[furan-3-ylmethyl(methyl)amino]methyl]-6-nitroaniline
CID 107351108
N,N,N'-trimethyl-N'-[[3-nitro-2-(propylamino)phenyl]methyl]ethane-1,2-diamine
CID 107351328
N-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]-6-nitroaniline
CID 107350896
N-ethyl-2-(3-methoxypropylsulfanylmethyl)-6-nitroaniline
CID 107352761
2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-nitrobenzoic acid
CID 115932386

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[2-methoxyethyl(methyl)amino]methyl]-6-nitroaniline?
The IUPAC name of N-ethyl-2-[[2-methoxyethyl(methyl)amino]methyl]-6-nitroaniline (CID 107351162) is N-ethyl-2-[[2-methoxyethyl(methyl)amino]methyl]-6-nitroaniline.
What is the SMILES notation for N-ethyl-2-[[2-methoxyethyl(methyl)amino]methyl]-6-nitroaniline?
The canonical SMILES for N-ethyl-2-[[2-methoxyethyl(methyl)amino]methyl]-6-nitroaniline is CCNc1c(CN(C)CCOC)cccc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-2-[[2-methoxyethyl(methyl)amino]methyl]-6-nitroaniline?
The InChIKey is SZIHCPRYDIZPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-14-13-11(10-15(2)8-9-19-3)6-5-7-12(13)16(17)18/h5-7,14H,4,8-10H2,1-3H3.
What are the key properties of N-ethyl-2-[[2-methoxyethyl(methyl)amino]methyl]-6-nitroaniline?
N-ethyl-2-[[2-methoxyethyl(methyl)amino]methyl]-6-nitroaniline has a molecular weight of 267.33 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[2-methoxyethyl(methyl)amino]methyl]-6-nitroaniline is sourced from PubChem (CID 107351162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).