1-N-[2-(2-methoxyethyl)phenyl]-4-nitrobenzene-1,3-diamine

C15H17N3O3 — CID 106751907

IUPAC1-N-[2-(2-methoxyethyl)phenyl]-4-nitrobenzene-1,3-diamine
SMILESCOCCc1ccccc1Nc1ccc([N+](=O)[O-])c(N)c1
InChIInChI=1S/C15H17N3O3/c1-21-9-8-11-4-2-3-5-14(11)17-12-6-7-15(18(19)20)13(16)10-12/h2-7,10,17H,8-9,16H2,1H3
InChIKeyGAYLJVIDOBOFAU-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.11
Rot. Bonds6

About 1-N-[2-(2-methoxyethyl)phenyl]-4-nitrobenzene-1,3-diamine

1-N-[2-(2-methoxyethyl)phenyl]-4-nitrobenzene-1,3-diamine (PubChem CID 106751907) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-N-[2-(2-methoxyethyl)phenyl]-4-nitrobenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[2-(2-methoxyethyl)phenyl]-4-nitrobenzene-1,3-diamine
PubChem CID106751907
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-N-[2-(2-methoxyethyl)phenyl]-4-nitrobenzene-1,3-diamine
SMILESCOCCc1ccccc1Nc1ccc([N+](=O)[O-])c(N)c1
InChIInChI=1S/C15H17N3O3/c1-21-9-8-11-4-2-3-5-14(11)17-12-6-7-15(18(19)20)13(16)10-12/h2-7,10,17H,8-9,16H2,1H3
InChIKeyGAYLJVIDOBOFAU-UHFFFAOYSA-N
XLogP3.11
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

1-N-(2-methoxyphenyl)-4-nitrobenzene-1,3-diamine
CID 106751307
3-fluoro-N-[2-(2-methoxyethyl)phenyl]-2-nitroaniline
CID 102907327
1-N-naphthalen-2-yl-4-nitrobenzene-1,3-diamine
CID 106751534
6-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3,6-triamine
CID 102903466
1-N-[4-(2-aminoethoxy)phenyl]-4-nitrobenzene-1,3-diamine
CID 106749983
1-N-(3-fluoro-4-methoxyphenyl)-4-nitrobenzene-1,3-diamine
CID 106751443
2-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3-diamine
CID 102903407
4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine
CID 102908724
2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid
CID 102907729
4-nitro-1-N-(4-propan-2-ylphenyl)benzene-1,3-diamine
CID 106751342
4-N-[2-(2-methoxyethyl)phenyl]pyridine-3,4-diamine
CID 102903431
1-N-[(3-ethyl-2-pyridinyl)methyl]-4-nitrobenzene-1,3-diamine
CID 106749506

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2-methoxyethyl)phenyl]-4-nitrobenzene-1,3-diamine?
The IUPAC name of 1-N-[2-(2-methoxyethyl)phenyl]-4-nitrobenzene-1,3-diamine (CID 106751907) is 1-N-[2-(2-methoxyethyl)phenyl]-4-nitrobenzene-1,3-diamine.
What is the SMILES notation for 1-N-[2-(2-methoxyethyl)phenyl]-4-nitrobenzene-1,3-diamine?
The canonical SMILES for 1-N-[2-(2-methoxyethyl)phenyl]-4-nitrobenzene-1,3-diamine is COCCc1ccccc1Nc1ccc([N+](=O)[O-])c(N)c1.
What is the InChIKey of 1-N-[2-(2-methoxyethyl)phenyl]-4-nitrobenzene-1,3-diamine?
The InChIKey is GAYLJVIDOBOFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-21-9-8-11-4-2-3-5-14(11)17-12-6-7-15(18(19)20)13(16)10-12/h2-7,10,17H,8-9,16H2,1H3.
What are the key properties of 1-N-[2-(2-methoxyethyl)phenyl]-4-nitrobenzene-1,3-diamine?
1-N-[2-(2-methoxyethyl)phenyl]-4-nitrobenzene-1,3-diamine has a molecular weight of 287.32 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(2-methoxyethyl)phenyl]-4-nitrobenzene-1,3-diamine is sourced from PubChem (CID 106751907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).