N,N-diethyl-4-[[(2-methylpropan-2-yl)oxyamino]methyl]aniline

C15H26N2O — CID 82720600

IUPACN,N-diethyl-4-[[(2-methylpropan-2-yl)oxyamino]methyl]aniline
SMILESCCN(CC)c1ccc(CNOC(C)(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-6-17(7-2)14-10-8-13(9-11-14)12-16-18-15(3,4)5/h8-11,16H,6-7,12H2,1-5H3
InChIKeyHWYMHMLRVIHZEX-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.35
Rot. Bonds6

About N,N-diethyl-4-[[(2-methylpropan-2-yl)oxyamino]methyl]aniline

N,N-diethyl-4-[[(2-methylpropan-2-yl)oxyamino]methyl]aniline (PubChem CID 82720600) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N,N-diethyl-4-[[(2-methylpropan-2-yl)oxyamino]methyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[[(2-methylpropan-2-yl)oxyamino]methyl]aniline
PubChem CID82720600
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN,N-diethyl-4-[[(2-methylpropan-2-yl)oxyamino]methyl]aniline
SMILESCCN(CC)c1ccc(CNOC(C)(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-6-17(7-2)14-10-8-13(9-11-14)12-16-18-15(3,4)5/h8-11,16H,6-7,12H2,1-5H3
InChIKeyHWYMHMLRVIHZEX-UHFFFAOYSA-N
XLogP3.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(tert-butylamino)methyl]-N,N-diethylaniline
CID 4719207
1-(4-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720707
1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720815
N,N-diethyl-4-[(2-methoxyethoxyamino)methyl]aniline
CID 82714297
1-(4-cyclopropylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720184
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-[(3-ethoxypropylamino)methyl]-N,N-diethylaniline
CID 4719418
4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline
CID 55147217
4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline
CID 57112514
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
N,N-diethyl-4-[[2-(4-methoxyphenyl)ethylamino]methyl]aniline
CID 4719727
N,N-diethyl-4-[(hexylamino)methyl]aniline;hydrochloride
CID 17293948

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[(2-methylpropan-2-yl)oxyamino]methyl]aniline?
The IUPAC name of N,N-diethyl-4-[[(2-methylpropan-2-yl)oxyamino]methyl]aniline (CID 82720600) is N,N-diethyl-4-[[(2-methylpropan-2-yl)oxyamino]methyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[[(2-methylpropan-2-yl)oxyamino]methyl]aniline?
The canonical SMILES for N,N-diethyl-4-[[(2-methylpropan-2-yl)oxyamino]methyl]aniline is CCN(CC)c1ccc(CNOC(C)(C)C)cc1.
What is the InChIKey of N,N-diethyl-4-[[(2-methylpropan-2-yl)oxyamino]methyl]aniline?
The InChIKey is HWYMHMLRVIHZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-17(7-2)14-10-8-13(9-11-14)12-16-18-15(3,4)5/h8-11,16H,6-7,12H2,1-5H3.
What are the key properties of N,N-diethyl-4-[[(2-methylpropan-2-yl)oxyamino]methyl]aniline?
N,N-diethyl-4-[[(2-methylpropan-2-yl)oxyamino]methyl]aniline has a molecular weight of 250.39 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[(2-methylpropan-2-yl)oxyamino]methyl]aniline is sourced from PubChem (CID 82720600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).