N,N-diethyl-2-[4-[[(4-nitrophenyl)diazenyl]methyl]phenoxy]ethanamine

C19H24N4O3 — CID 112758541

IUPACN,N-diethyl-2-[4-[[(4-nitrophenyl)diazenyl]methyl]phenoxy]ethanamine
SMILESCCN(CC)CCOc1ccc(C/N=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H24N4O3/c1-3-22(4-2)13-14-26-19-11-5-16(6-12-19)15-20-21-17-7-9-18(10-8-17)23(24)25/h5-12H,3-4,13-15H2,1-2H3/b21-20+
InChIKeyUWZVUTQXUDZKKL-QZQOTICOSA-N
MW356.43 g/mol
LogP4.60
Rot. Bonds10

About N,N-diethyl-2-[4-[[(4-nitrophenyl)diazenyl]methyl]phenoxy]ethanamine

N,N-diethyl-2-[4-[[(4-nitrophenyl)diazenyl]methyl]phenoxy]ethanamine (PubChem CID 112758541) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[[(4-nitrophenyl)diazenyl]methyl]phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[[(4-nitrophenyl)diazenyl]methyl]phenoxy]ethanamine
PubChem CID112758541
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN,N-diethyl-2-[4-[[(4-nitrophenyl)diazenyl]methyl]phenoxy]ethanamine
SMILESCCN(CC)CCOc1ccc(C/N=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H24N4O3/c1-3-22(4-2)13-14-26-19-11-5-16(6-12-19)15-20-21-17-7-9-18(10-8-17)23(24)25/h5-12H,3-4,13-15H2,1-2H3/b21-20+
InChIKeyUWZVUTQXUDZKKL-QZQOTICOSA-N
XLogP4.60
TPSA80.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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

N,N-diethyl-10-[4-[(4-nitrophenyl)diazenyl]phenoxy]decan-1-amine
CID 101457870
N,N-diethyl-6-[4-[(4-nitrophenyl)diazenyl]phenoxy]hexan-1-amine
CID 101077613
N,N-diethyl-3-(4-nitrophenoxy)propan-1-amine;hydrochloride
CID 19863387
(4-nitrophenyl)-[4-[8-[4-[(4-nitrophenyl)diazenyl]phenoxy]octoxy]phenyl]diazene
CID 102425996
[4-(3-methylbutoxy)phenyl]-(4-nitrophenyl)diazene
CID 177395808
2-(diethylamino)ethyl (4-nitrophenyl) carbonate
CID 23330309
(4-nitrophenyl)-[4-(3-trimethoxysilylpropoxy)phenyl]diazene
CID 86173257
N,N-diethyl-2-(3-methoxy-5-nitrophenoxy)ethanamine
CID 142721432
2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde
CID 86033023
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
2-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]ethanamine
CID 142384195
1-nitro-4-octadecoxybenzene
CID 4258205

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[[(4-nitrophenyl)diazenyl]methyl]phenoxy]ethanamine?
The IUPAC name of N,N-diethyl-2-[4-[[(4-nitrophenyl)diazenyl]methyl]phenoxy]ethanamine (CID 112758541) is N,N-diethyl-2-[4-[[(4-nitrophenyl)diazenyl]methyl]phenoxy]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[4-[[(4-nitrophenyl)diazenyl]methyl]phenoxy]ethanamine?
The canonical SMILES for N,N-diethyl-2-[4-[[(4-nitrophenyl)diazenyl]methyl]phenoxy]ethanamine is CCN(CC)CCOc1ccc(C/N=N/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N,N-diethyl-2-[4-[[(4-nitrophenyl)diazenyl]methyl]phenoxy]ethanamine?
The InChIKey is UWZVUTQXUDZKKL-QZQOTICOSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-3-22(4-2)13-14-26-19-11-5-16(6-12-19)15-20-21-17-7-9-18(10-8-17)23(24)25/h5-12H,3-4,13-15H2,1-2H3/b21-20+.
What are the key properties of N,N-diethyl-2-[4-[[(4-nitrophenyl)diazenyl]methyl]phenoxy]ethanamine?
N,N-diethyl-2-[4-[[(4-nitrophenyl)diazenyl]methyl]phenoxy]ethanamine has a molecular weight of 356.43 g/mol, XLogP of 4.60, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[[(4-nitrophenyl)diazenyl]methyl]phenoxy]ethanamine is sourced from PubChem (CID 112758541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).