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

C19H25N3O4 — CID 18371649

IUPAC1-N,1-N-bis(2-methoxyethyl)-2-(4-methyl-3-nitrophenyl)benzene-1,4-diamine
SMILESCOCCN(CCOC)c1ccc(N)cc1-c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C19H25N3O4/c1-14-4-5-15(12-19(14)22(23)24)17-13-16(20)6-7-18(17)21(8-10-25-2)9-11-26-3/h4-7,12-13H,8-11,20H2,1-3H3
InChIKeyVXMXHHVJYKCPBF-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.25
Rot. Bonds9

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

1-N,1-N-bis(2-methoxyethyl)-2-(4-methyl-3-nitrophenyl)benzene-1,4-diamine (PubChem CID 18371649) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-N,1-N-bis(2-methoxyethyl)-2-(4-methyl-3-nitrophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-bis(2-methoxyethyl)-2-(4-methyl-3-nitrophenyl)benzene-1,4-diamine
PubChem CID18371649
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name1-N,1-N-bis(2-methoxyethyl)-2-(4-methyl-3-nitrophenyl)benzene-1,4-diamine
SMILESCOCCN(CCOC)c1ccc(N)cc1-c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C19H25N3O4/c1-14-4-5-15(12-19(14)22(23)24)17-13-16(20)6-7-18(17)21(8-10-25-2)9-11-26-3/h4-7,12-13H,8-11,20H2,1-3H3
InChIKeyVXMXHHVJYKCPBF-UHFFFAOYSA-N
XLogP3.25
TPSA90.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

Disperse Red 17
CID 4585870
Benzenamine, N-ethyl-N-(2-methoxyethyl)-3-methyl-4-nitroso-
CID 113051
(2-Methyl-4-nitrophenyl)(3-nitrobenzyl)amine
CID 2853777
Carbanilic acid, p-nitro-, 2-(methyl(3-phenylpropyl)amino)ethyl ester, hydrochloride
CID 28684
2-({3-Methyl-4-[(4-nitrophenyl)diazenyl]phenyl}amino)ethan-1-ol
CID 3121607
Ethanol, 2-[ethyl[3-methyl-4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]-
CID 112795
2-[[2-Methyl-4-[(4-nitrophenyl)azo]phenyl]amino]ethanol
CID 113246
(2,5-Dimethylphenyl)(3-nitrobenzyl)amine
CID 870828
N1-(2-methyl-4-nitrophenyl)-N2-(2-morpholino-2-(p-tolyl)ethyl)oxalamide
CID 44015415
Ethanol, 2,2'-[[2-methyl-4-[(4-nitrophenyl)azo]phenyl]imino]bis-
CID 105525
Ethanol, 2,2'-[[3-methyl-4-[(4-nitrophenyl)azo]phenyl]imino]bis-, diacetate (ester)
CID 116931
2-(4-Amino-N-ethyl-m-toluidino)ethanol nitrate
CID 84679

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis(2-methoxyethyl)-2-(4-methyl-3-nitrophenyl)benzene-1,4-diamine?
The IUPAC name of 1-N,1-N-bis(2-methoxyethyl)-2-(4-methyl-3-nitrophenyl)benzene-1,4-diamine (CID 18371649) is 1-N,1-N-bis(2-methoxyethyl)-2-(4-methyl-3-nitrophenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N-bis(2-methoxyethyl)-2-(4-methyl-3-nitrophenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,1-N-bis(2-methoxyethyl)-2-(4-methyl-3-nitrophenyl)benzene-1,4-diamine is COCCN(CCOC)c1ccc(N)cc1-c1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of 1-N,1-N-bis(2-methoxyethyl)-2-(4-methyl-3-nitrophenyl)benzene-1,4-diamine?
The InChIKey is VXMXHHVJYKCPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-14-4-5-15(12-19(14)22(23)24)17-13-16(20)6-7-18(17)21(8-10-25-2)9-11-26-3/h4-7,12-13H,8-11,20H2,1-3H3.
What are the key properties of 1-N,1-N-bis(2-methoxyethyl)-2-(4-methyl-3-nitrophenyl)benzene-1,4-diamine?
1-N,1-N-bis(2-methoxyethyl)-2-(4-methyl-3-nitrophenyl)benzene-1,4-diamine has a molecular weight of 359.43 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis(2-methoxyethyl)-2-(4-methyl-3-nitrophenyl)benzene-1,4-diamine is sourced from PubChem (CID 18371649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).