4-N,4-N-bis(2-methoxyethyl)-2-(3-nitrophenyl)benzene-1,4-diamine

C18H23N3O4 — CID 18371805

IUPAC4-N,4-N-bis(2-methoxyethyl)-2-(3-nitrophenyl)benzene-1,4-diamine
SMILESCOCCN(CCOC)c1ccc(N)c(-c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C18H23N3O4/c1-24-10-8-20(9-11-25-2)15-6-7-18(19)17(13-15)14-4-3-5-16(12-14)21(22)23/h3-7,12-13H,8-11,19H2,1-2H3
InChIKeyYHRZZOKEUNKKAL-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.94
Rot. Bonds9

About 4-N,4-N-bis(2-methoxyethyl)-2-(3-nitrophenyl)benzene-1,4-diamine

4-N,4-N-bis(2-methoxyethyl)-2-(3-nitrophenyl)benzene-1,4-diamine (PubChem CID 18371805) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-N,4-N-bis(2-methoxyethyl)-2-(3-nitrophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-bis(2-methoxyethyl)-2-(3-nitrophenyl)benzene-1,4-diamine
PubChem CID18371805
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name4-N,4-N-bis(2-methoxyethyl)-2-(3-nitrophenyl)benzene-1,4-diamine
SMILESCOCCN(CCOC)c1ccc(N)c(-c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C18H23N3O4/c1-24-10-8-20(9-11-25-2)15-6-7-18(19)17(13-15)14-4-3-5-16(12-14)21(22)23/h3-7,12-13H,8-11,19H2,1-2H3
InChIKeyYHRZZOKEUNKKAL-UHFFFAOYSA-N
XLogP2.94
TPSA90.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-(4-fluorophenyl)-4-N,4-N-bis(2-methoxyethyl)benzene-1,4-diamine
CID 18371224
4-[2-amino-5-[bis(2-methoxyethyl)amino]phenyl]benzoic acid
CID 18371335
1-N-ethyl-1-N-(2-methoxyethyl)-4-nitrobenzene-1,3-diamine
CID 106751571
2-[2-(bromomethyl)phenyl]-4-N,4-N-bis(2-methoxyethyl)benzene-1,4-diamine
CID 18371437
N,N-dibutyl-3-nitroaniline;hydrochloride
CID 163332973
3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine
CID 43587927
4-N,4-N-bis(2-methoxyethyl)-2-(4-methylthiophen-2-yl)benzene-1,4-diamine
CID 70163635
2,6-difluoro-3-(3-nitrophenyl)aniline
CID 165455760
N-(2-methoxyethyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3230912
3-hydrazinyl-N,N-bis(2-methoxyethyl)-5-nitroaniline
CID 80895595
2-[2-amino-5-[bis(2-methoxyethyl)amino]phenyl]-4-methoxybenzaldehyde
CID 18371411
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(2-methoxyethyl)-2-(3-nitrophenyl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-bis(2-methoxyethyl)-2-(3-nitrophenyl)benzene-1,4-diamine (CID 18371805) is 4-N,4-N-bis(2-methoxyethyl)-2-(3-nitrophenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-bis(2-methoxyethyl)-2-(3-nitrophenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-bis(2-methoxyethyl)-2-(3-nitrophenyl)benzene-1,4-diamine is COCCN(CCOC)c1ccc(N)c(-c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 4-N,4-N-bis(2-methoxyethyl)-2-(3-nitrophenyl)benzene-1,4-diamine?
The InChIKey is YHRZZOKEUNKKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-24-10-8-20(9-11-25-2)15-6-7-18(19)17(13-15)14-4-3-5-16(12-14)21(22)23/h3-7,12-13H,8-11,19H2,1-2H3.
What are the key properties of 4-N,4-N-bis(2-methoxyethyl)-2-(3-nitrophenyl)benzene-1,4-diamine?
4-N,4-N-bis(2-methoxyethyl)-2-(3-nitrophenyl)benzene-1,4-diamine has a molecular weight of 345.40 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(2-methoxyethyl)-2-(3-nitrophenyl)benzene-1,4-diamine is sourced from PubChem (CID 18371805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).