2-[benzyl(2-hydroxyiminopropyl)amino]-1-phenylethanol

C18H22N2O2 — CID 88812154

IUPAC2-[benzyl(2-hydroxyiminopropyl)amino]-1-phenylethanol
SMILESCC(CN(Cc1ccccc1)CC(O)c1ccccc1)=NO
InChIInChI=1S/C18H22N2O2/c1-15(19-22)12-20(13-16-8-4-2-5-9-16)14-18(21)17-10-6-3-7-11-17/h2-11,18,21-22H,12-14H2,1H3
InChIKeySRUSDASAUBUCLP-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.07
Rot. Bonds7

About 2-[benzyl(2-hydroxyiminopropyl)amino]-1-phenylethanol

2-[benzyl(2-hydroxyiminopropyl)amino]-1-phenylethanol (PubChem CID 88812154) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[benzyl(2-hydroxyiminopropyl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[benzyl(2-hydroxyiminopropyl)amino]-1-phenylethanol
PubChem CID88812154
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-[benzyl(2-hydroxyiminopropyl)amino]-1-phenylethanol
SMILESCC(CN(Cc1ccccc1)CC(O)c1ccccc1)=NO
InChIInChI=1S/C18H22N2O2/c1-15(19-22)12-20(13-16-8-4-2-5-9-16)14-18(21)17-10-6-3-7-11-17/h2-11,18,21-22H,12-14H2,1H3
InChIKeySRUSDASAUBUCLP-UHFFFAOYSA-N
XLogP3.07
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[1-[benzyl-[(2Z)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine
CID 134858396
N-[1-[benzyl(2-hydroxyiminopropyl)amino]propan-2-ylidene]hydroxylamine
CID 71426108
2-[benzyl(ethyl)amino]-1-pyridin-4-ylethanol
CID 112501695
2-[benzyl(thiophen-2-ylmethyl)amino]-1-phenylethanol
CID 42837186
CID 16686302
CID 16686302
4-[2-(dibenzylamino)-1-hydroxyethyl]-N-methylbenzenesulfonamide
CID 70575937
2-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-1-phenylethanol
CID 46006776
(1R)-2-[benzyl(propyl)amino]-1-(3-bromophenyl)ethanol
CID 52535526
(2R)-N,N-dibenzyl-2-chloro-2-phenylethanamine
CID 92858642
(1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol
CID 92856160
2-[2-methoxyethyl-[(3-methoxyphenyl)methyl]amino]-1-phenylethanol
CID 24713596
(1R)-2-[benzyl-[2-(oxan-2-yloxy)ethyl]amino]-1-phenylethanol
CID 59508792

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-hydroxyiminopropyl)amino]-1-phenylethanol?
The IUPAC name of 2-[benzyl(2-hydroxyiminopropyl)amino]-1-phenylethanol (CID 88812154) is 2-[benzyl(2-hydroxyiminopropyl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[benzyl(2-hydroxyiminopropyl)amino]-1-phenylethanol?
The canonical SMILES for 2-[benzyl(2-hydroxyiminopropyl)amino]-1-phenylethanol is CC(CN(Cc1ccccc1)CC(O)c1ccccc1)=NO.
What is the InChIKey of 2-[benzyl(2-hydroxyiminopropyl)amino]-1-phenylethanol?
The InChIKey is SRUSDASAUBUCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-15(19-22)12-20(13-16-8-4-2-5-9-16)14-18(21)17-10-6-3-7-11-17/h2-11,18,21-22H,12-14H2,1H3.
What are the key properties of 2-[benzyl(2-hydroxyiminopropyl)amino]-1-phenylethanol?
2-[benzyl(2-hydroxyiminopropyl)amino]-1-phenylethanol has a molecular weight of 298.39 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-hydroxyiminopropyl)amino]-1-phenylethanol is sourced from PubChem (CID 88812154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).