2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-4-nitroaniline

C14H23N3O4 — CID 62207174

IUPAC2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-4-nitroaniline
SMILESCOCCCN(CCOC)Cc1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C14H23N3O4/c1-20-8-3-6-16(7-9-21-2)11-12-10-13(17(18)19)4-5-14(12)15/h4-5,10H,3,6-9,11,15H2,1-2H3
InChIKeyHQTYRHKMOUYOFV-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.66
Rot. Bonds10

About 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-4-nitroaniline

2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-4-nitroaniline (PubChem CID 62207174) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-4-nitroaniline.

Molecular Properties

Compound Name2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-4-nitroaniline
PubChem CID62207174
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-4-nitroaniline
SMILESCOCCCN(CCOC)Cc1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C14H23N3O4/c1-20-8-3-6-16(7-9-21-2)11-12-10-13(17(18)19)4-5-14(12)15/h4-5,10H,3,6-9,11,15H2,1-2H3
InChIKeyHQTYRHKMOUYOFV-UHFFFAOYSA-N
XLogP1.66
TPSA90.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline
CID 54985082
2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-4-nitroaniline
CID 81074477
2-[3-(diethylamino)propoxy]-5-nitroaniline
CID 39222496
2-methoxy-N-(2-methoxyethyl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 78807389
3-methoxypropan-1-amine;2-methyl-5-nitroaniline
CID 159209336
5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-carbaldehyde
CID 113372293
2-[(2-methoxyethylamino)methyl]-5-nitroaniline
CID 68706277
4-nitro-2-propylaniline
CID 21492038
3-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)phenyl]methyl]propan-1-amine
CID 62436682
4-[[2-methoxyethyl(methyl)amino]methyl]-2-nitroaniline
CID 55046715
1-(2-amino-5-nitrophenyl)propan-2-one
CID 130926126
3-[(5-chloro-2-nitrophenyl)methyl-(2-methoxyethyl)amino]propanenitrile
CID 79421546

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-4-nitroaniline?
The IUPAC name of 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-4-nitroaniline (CID 62207174) is 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-4-nitroaniline.
What is the SMILES notation for 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-4-nitroaniline?
The canonical SMILES for 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-4-nitroaniline is COCCCN(CCOC)Cc1cc([N+](=O)[O-])ccc1N.
What is the InChIKey of 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-4-nitroaniline?
The InChIKey is HQTYRHKMOUYOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-20-8-3-6-16(7-9-21-2)11-12-10-13(17(18)19)4-5-14(12)15/h4-5,10H,3,6-9,11,15H2,1-2H3.
What are the key properties of 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-4-nitroaniline?
2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-4-nitroaniline has a molecular weight of 297.36 g/mol, XLogP of 1.66, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-4-nitroaniline is sourced from PubChem (CID 62207174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).