N-[2,4-di(propan-2-yloxy)phenyl]hydroxylamine

C12H19NO3 — CID 102213388

IUPACN-[2,4-di(propan-2-yloxy)phenyl]hydroxylamine
SMILESCC(C)Oc1ccc(NO)c(OC(C)C)c1
InChIInChI=1S/C12H19NO3/c1-8(2)15-10-5-6-11(13-14)12(7-10)16-9(3)4/h5-9,13-14H,1-4H3
InChIKeyMINBQIDQVZMSLG-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.06
Rot. Bonds5

About N-[2,4-di(propan-2-yloxy)phenyl]hydroxylamine

N-[2,4-di(propan-2-yloxy)phenyl]hydroxylamine (PubChem CID 102213388) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[2,4-di(propan-2-yloxy)phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[2,4-di(propan-2-yloxy)phenyl]hydroxylamine
PubChem CID102213388
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-[2,4-di(propan-2-yloxy)phenyl]hydroxylamine
SMILESCC(C)Oc1ccc(NO)c(OC(C)C)c1
InChIInChI=1S/C12H19NO3/c1-8(2)15-10-5-6-11(13-14)12(7-10)16-9(3)4/h5-9,13-14H,1-4H3
InChIKeyMINBQIDQVZMSLG-UHFFFAOYSA-N
XLogP3.06
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-di(propan-2-yloxy)phenol
CID 57426094
[2,4-di(propan-2-yloxy)phenyl]methanol
CID 12071268
1-[2,4-di(propan-2-yloxy)phenyl]propan-1-ol
CID 82263737
N-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine
CID 54804735
2,5-di(propan-2-yloxy)aniline
CID 18997718
N-(4-methyl-2-propan-2-yloxyphenyl)acetamide
CID 71514157
4-(chloroamino)-3-propan-2-yloxyphenol
CID 139405527
3-[2,4-di(propan-2-yloxy)phenyl]prop-2-enoic acid
CID 70019148
2-(methylamino)-5-propan-2-yloxybenzaldehyde
CID 121219252
1-iodo-2-methoxy-4-propan-2-yloxybenzene
CID 131308611
CID 88575410
CID 88575410
(2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 92930680

Frequently Asked Questions

What is the IUPAC name of N-[2,4-di(propan-2-yloxy)phenyl]hydroxylamine?
The IUPAC name of N-[2,4-di(propan-2-yloxy)phenyl]hydroxylamine (CID 102213388) is N-[2,4-di(propan-2-yloxy)phenyl]hydroxylamine.
What is the SMILES notation for N-[2,4-di(propan-2-yloxy)phenyl]hydroxylamine?
The canonical SMILES for N-[2,4-di(propan-2-yloxy)phenyl]hydroxylamine is CC(C)Oc1ccc(NO)c(OC(C)C)c1.
What is the InChIKey of N-[2,4-di(propan-2-yloxy)phenyl]hydroxylamine?
The InChIKey is MINBQIDQVZMSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8(2)15-10-5-6-11(13-14)12(7-10)16-9(3)4/h5-9,13-14H,1-4H3.
What are the key properties of N-[2,4-di(propan-2-yloxy)phenyl]hydroxylamine?
N-[2,4-di(propan-2-yloxy)phenyl]hydroxylamine has a molecular weight of 225.29 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-di(propan-2-yloxy)phenyl]hydroxylamine is sourced from PubChem (CID 102213388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).