O-(3,3,5-trimethyl-6-phenoxyhexan-2-yl)hydroxylamine

C15H25NO2 — CID 59956887

IUPACO-(3,3,5-trimethyl-6-phenoxyhexan-2-yl)hydroxylamine
SMILESCC(COc1ccccc1)CC(C)(C)C(C)ON
InChIInChI=1S/C15H25NO2/c1-12(10-15(3,4)13(2)18-16)11-17-14-8-6-5-7-9-14/h5-9,12-13H,10-11,16H2,1-4H3
InChIKeySDYJWXCXTZEGPN-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.40
Rot. Bonds7

About O-(3,3,5-trimethyl-6-phenoxyhexan-2-yl)hydroxylamine

O-(3,3,5-trimethyl-6-phenoxyhexan-2-yl)hydroxylamine (PubChem CID 59956887) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is O-(3,3,5-trimethyl-6-phenoxyhexan-2-yl)hydroxylamine.

Molecular Properties

Compound NameO-(3,3,5-trimethyl-6-phenoxyhexan-2-yl)hydroxylamine
PubChem CID59956887
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameO-(3,3,5-trimethyl-6-phenoxyhexan-2-yl)hydroxylamine
SMILESCC(COc1ccccc1)CC(C)(C)C(C)ON
InChIInChI=1S/C15H25NO2/c1-12(10-15(3,4)13(2)18-16)11-17-14-8-6-5-7-9-14/h5-9,12-13H,10-11,16H2,1-4H3
InChIKeySDYJWXCXTZEGPN-UHFFFAOYSA-N
XLogP3.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl 2-(dimethylsulfamoyl)benzenesulfonate;O-(3,3,5-trimethyl-6-phenoxyhexan-2-yl)hydroxylamine
CID 91304371
tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane
CID 141099859
2-amino-4-methyl-5-phenoxy-N-phenylpentanamide
CID 152756408
1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene
CID 90455432
1-methyl-3-(2,4,4-trimethylpentoxy)benzene
CID 163995199
CID 142401703
CID 142401703
1-phenoxypropan-2-yl 3,5,5-trimethylhexanoate
CID 59236946
amino(1-phenoxypropan-2-yl)azanium
CID 20838095
tert-butyl (2S)-2-amino-3-phenoxypropanoate
CID 163342114
[4-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46-pentatetracontamethylheptatetracontoxy)phenyl]-diphenylphosphane
CID 53474515
ethane;1-phenoxypropan-2-ol
CID 90926921
3-methyl-2-(phenoxymethyl)butan-1-ol
CID 15214280

Frequently Asked Questions

What is the IUPAC name of O-(3,3,5-trimethyl-6-phenoxyhexan-2-yl)hydroxylamine?
The IUPAC name of O-(3,3,5-trimethyl-6-phenoxyhexan-2-yl)hydroxylamine (CID 59956887) is O-(3,3,5-trimethyl-6-phenoxyhexan-2-yl)hydroxylamine.
What is the SMILES notation for O-(3,3,5-trimethyl-6-phenoxyhexan-2-yl)hydroxylamine?
The canonical SMILES for O-(3,3,5-trimethyl-6-phenoxyhexan-2-yl)hydroxylamine is CC(COc1ccccc1)CC(C)(C)C(C)ON.
What is the InChIKey of O-(3,3,5-trimethyl-6-phenoxyhexan-2-yl)hydroxylamine?
The InChIKey is SDYJWXCXTZEGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(10-15(3,4)13(2)18-16)11-17-14-8-6-5-7-9-14/h5-9,12-13H,10-11,16H2,1-4H3.
What are the key properties of O-(3,3,5-trimethyl-6-phenoxyhexan-2-yl)hydroxylamine?
O-(3,3,5-trimethyl-6-phenoxyhexan-2-yl)hydroxylamine has a molecular weight of 251.37 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(3,3,5-trimethyl-6-phenoxyhexan-2-yl)hydroxylamine is sourced from PubChem (CID 59956887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).