N-[2-(4-tert-butylphenyl)ethyl]hydroxylamine

C12H19NO — CID 142885264

IUPACN-[2-(4-tert-butylphenyl)ethyl]hydroxylamine
SMILESCC(C)(C)c1ccc(CCNO)cc1
InChIInChI=1S/C12H19NO/c1-12(2,3)11-6-4-10(5-7-11)8-9-13-14/h4-7,13-14H,8-9H2,1-3H3
InChIKeyTWNRFPQNEUOJHG-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.51
Rot. Bonds3

About N-[2-(4-tert-butylphenyl)ethyl]hydroxylamine

N-[2-(4-tert-butylphenyl)ethyl]hydroxylamine (PubChem CID 142885264) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)ethyl]hydroxylamine
PubChem CID142885264
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-[2-(4-tert-butylphenyl)ethyl]hydroxylamine
SMILESCC(C)(C)c1ccc(CCNO)cc1
InChIInChI=1S/C12H19NO/c1-12(2,3)11-6-4-10(5-7-11)8-9-13-14/h4-7,13-14H,8-9H2,1-3H3
InChIKeyTWNRFPQNEUOJHG-UHFFFAOYSA-N
XLogP2.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-tert-butylphenyl)ethyl]-N-methylmethanediamine
CID 115227117
N'-[2-(4-tert-butylphenyl)ethyl]methanediamine
CID 115225996
N'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine
CID 115195374
4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
CID 61239050
3-[2-(4-tert-butylphenyl)ethylamino]-3-methylbutan-1-ol
CID 115134207
(2S)-2-amino-N-[2-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide
CID 119706734
4-[2-(4-tert-butylphenyl)ethylamino]-2,2-dimethylbutanoic acid
CID 122127415
2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 68882931
N-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide
CID 115158005
3-(4-tert-butylphenyl)-N-propylpropan-1-amine
CID 62528827
2-amino-3-[2-(4-tert-butylphenyl)ethylamino]propanoic acid
CID 115240811
3-N-[2-(4-tert-butylphenyl)ethyl]propane-1,2,3-triamine
CID 115119935

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]hydroxylamine?
The IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]hydroxylamine (CID 142885264) is N-[2-(4-tert-butylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)ethyl]hydroxylamine?
The canonical SMILES for N-[2-(4-tert-butylphenyl)ethyl]hydroxylamine is CC(C)(C)c1ccc(CCNO)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)ethyl]hydroxylamine?
The InChIKey is TWNRFPQNEUOJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,3)11-6-4-10(5-7-11)8-9-13-14/h4-7,13-14H,8-9H2,1-3H3.
What are the key properties of N-[2-(4-tert-butylphenyl)ethyl]hydroxylamine?
N-[2-(4-tert-butylphenyl)ethyl]hydroxylamine has a molecular weight of 193.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 142885264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).