1-[benzyl(hydroxy)amino]-4-methyl-1-phenylpentan-2-ol

C19H25NO2 — CID 101185261

IUPAC1-[benzyl(hydroxy)amino]-4-methyl-1-phenylpentan-2-ol
SMILESCC(C)CC(O)C(c1ccccc1)N(O)Cc1ccccc1
InChIInChI=1S/C19H25NO2/c1-15(2)13-18(21)19(17-11-7-4-8-12-17)20(22)14-16-9-5-3-6-10-16/h3-12,15,18-19,21-22H,13-14H2,1-2H3
InChIKeyRZZGQOMTORSQJA-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.03
Rot. Bonds7

About 1-[benzyl(hydroxy)amino]-4-methyl-1-phenylpentan-2-ol

1-[benzyl(hydroxy)amino]-4-methyl-1-phenylpentan-2-ol (PubChem CID 101185261) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-[benzyl(hydroxy)amino]-4-methyl-1-phenylpentan-2-ol.

Molecular Properties

Compound Name1-[benzyl(hydroxy)amino]-4-methyl-1-phenylpentan-2-ol
PubChem CID101185261
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name1-[benzyl(hydroxy)amino]-4-methyl-1-phenylpentan-2-ol
SMILESCC(C)CC(O)C(c1ccccc1)N(O)Cc1ccccc1
InChIInChI=1S/C19H25NO2/c1-15(2)13-18(21)19(17-11-7-4-8-12-17)20(22)14-16-9-5-3-6-10-16/h3-12,15,18-19,21-22H,13-14H2,1-2H3
InChIKeyRZZGQOMTORSQJA-UHFFFAOYSA-N
XLogP4.03
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[(1R)-1-phenylethyl]hydroxylamine
CID 15778138
(2S,3R,4S)-2-amino-6-methyl-1-phenylheptane-3,4-diol
CID 10585964
(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
CID 11484349
1-[benzyl(hydroxy)amino]propan-2-ol
CID 14957155
(1R,2S)-1-(dibenzylamino)-3-methyl-1-phenylbutane-2,3-diol
CID 50901274
1-[benzyl(1-hydroxyethyl)amino]ethanol;hydrochloride
CID 173430538
2-[(2-amino-1-phenylpropyl)-benzylamino]ethanol
CID 62116164
3-[benzyl(methyl)amino]-1,1-diphenylpropan-2-ol
CID 12549048
(2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide
CID 70098322
[(2S)-1-[benzyl(propan-2-yl)amino]-2-hydroxy-5-methylhexan-3-yl]carbamic acid
CID 70415964
1-[1-[benzyl(hydroxy)amino]cyclohexyl]-3-methylbutan-1-ol
CID 101185270
3-[benzyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol
CID 14596217

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(hydroxy)amino]-4-methyl-1-phenylpentan-2-ol?
The IUPAC name of 1-[benzyl(hydroxy)amino]-4-methyl-1-phenylpentan-2-ol (CID 101185261) is 1-[benzyl(hydroxy)amino]-4-methyl-1-phenylpentan-2-ol.
What is the SMILES notation for 1-[benzyl(hydroxy)amino]-4-methyl-1-phenylpentan-2-ol?
The canonical SMILES for 1-[benzyl(hydroxy)amino]-4-methyl-1-phenylpentan-2-ol is CC(C)CC(O)C(c1ccccc1)N(O)Cc1ccccc1.
What is the InChIKey of 1-[benzyl(hydroxy)amino]-4-methyl-1-phenylpentan-2-ol?
The InChIKey is RZZGQOMTORSQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-15(2)13-18(21)19(17-11-7-4-8-12-17)20(22)14-16-9-5-3-6-10-16/h3-12,15,18-19,21-22H,13-14H2,1-2H3.
What are the key properties of 1-[benzyl(hydroxy)amino]-4-methyl-1-phenylpentan-2-ol?
1-[benzyl(hydroxy)amino]-4-methyl-1-phenylpentan-2-ol has a molecular weight of 299.41 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(hydroxy)amino]-4-methyl-1-phenylpentan-2-ol is sourced from PubChem (CID 101185261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).