1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol

C14H23NO3 — CID 82723320

IUPAC1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol
SMILESCC(C)(C)ONCC(O)COCc1ccccc1
InChIInChI=1S/C14H23NO3/c1-14(2,3)18-15-9-13(16)11-17-10-12-7-5-4-6-8-12/h4-8,13,15-16H,9-11H2,1-3H3
InChIKeyIXRWRJZPUINOOD-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.88
Rot. Bonds7

About 1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol

1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol (PubChem CID 82723320) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol
PubChem CID82723320
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol
SMILESCC(C)(C)ONCC(O)COCc1ccccc1
InChIInChI=1S/C14H23NO3/c1-14(2,3)18-15-9-13(16)11-17-10-12-7-5-4-6-8-12/h4-8,13,15-16H,9-11H2,1-3H3
InChIKeyIXRWRJZPUINOOD-UHFFFAOYSA-N
XLogP1.88
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.88
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

(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide
CID 106276229
2-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2-methylbutanoic acid
CID 79788909
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol
CID 106175193
1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol
CID 115406795
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144
1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol
CID 61469295
1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 170992001
(2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol
CID 171477760
1-(cyclopentyloxyamino)-3-phenylmethoxypropan-2-ol
CID 83229084
1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 60632327
1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylmethoxypropan-2-ol
CID 62516876

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol (CID 82723320) is 1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol is CC(C)(C)ONCC(O)COCc1ccccc1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol?
The InChIKey is IXRWRJZPUINOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2,3)18-15-9-13(16)11-17-10-12-7-5-4-6-8-12/h4-8,13,15-16H,9-11H2,1-3H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol?
1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 82723320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).