2-[benzyl(methyl)amino]-1-phenylethanol;2-[benzyl(methyl)amino]-2-phenylethanol

C32H38N2O2 — CID 110192818

IUPAC2-[benzyl(methyl)amino]-1-phenylethanol;2-[benzyl(methyl)amino]-2-phenylethanol
SMILESCN(Cc1ccccc1)C(CO)c1ccccc1.CN(Cc1ccccc1)CC(O)c1ccccc1
InChIInChI=1S/2C16H19NO/c1-17(12-14-8-4-2-5-9-14)16(13-18)15-10-6-3-7-11-15;1-17(12-14-8-4-2-5-9-14)13-16(18)15-10-6-3-7-11-15/h2*2-11,16,18H,12-13H2,1H3
InChIKeyOQHULJKCBQDDTA-UHFFFAOYSA-N
MW482.67 g/mol
LogP5.70
Rot. Bonds10

About 2-[benzyl(methyl)amino]-1-phenylethanol;2-[benzyl(methyl)amino]-2-phenylethanol

2-[benzyl(methyl)amino]-1-phenylethanol;2-[benzyl(methyl)amino]-2-phenylethanol (PubChem CID 110192818) has the molecular formula C32H38N2O2 and a molecular weight of 482.67 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-1-phenylethanol;2-[benzyl(methyl)amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-1-phenylethanol;2-[benzyl(methyl)amino]-2-phenylethanol
PubChem CID110192818
Molecular FormulaC32H38N2O2
Molecular Weight482.67 g/mol
Exact Mass482.29
IUPAC Name2-[benzyl(methyl)amino]-1-phenylethanol;2-[benzyl(methyl)amino]-2-phenylethanol
SMILESCN(Cc1ccccc1)C(CO)c1ccccc1.CN(Cc1ccccc1)CC(O)c1ccccc1
InChIInChI=1S/2C16H19NO/c1-17(12-14-8-4-2-5-9-14)16(13-18)15-10-6-3-7-11-15;1-17(12-14-8-4-2-5-9-14)13-16(18)15-10-6-3-7-11-15/h2*2-11,16,18H,12-13H2,1H3
InChIKeyOQHULJKCBQDDTA-UHFFFAOYSA-N
XLogP5.70
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[benzyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol
CID 22005903
(1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol
CID 92857425
3-[benzyl(methyl)amino]-1,1-diphenylpropan-2-ol
CID 12549048
2-[[4-(2-ethoxyphenyl)phenyl]methyl-methylamino]-1-phenylethanol
CID 10089991
5-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-2-methoxyphenol
CID 13248722
(1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol
CID 40768444
2-[benzyl(methyl)amino]-1-(3-nitrophenyl)ethanol
CID 3116031
3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol
CID 110009129
(2R)-2-(dimethylamino)-2-phenylethanol
CID 10888273
(2R)-2-[amino(benzyl)amino]-2-phenylethanol
CID 15856855
CID 16686302
CID 16686302
2-[furan-2-ylmethyl(methyl)amino]-1-phenylethanol
CID 3412322

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-1-phenylethanol;2-[benzyl(methyl)amino]-2-phenylethanol?
The IUPAC name of 2-[benzyl(methyl)amino]-1-phenylethanol;2-[benzyl(methyl)amino]-2-phenylethanol (CID 110192818) is 2-[benzyl(methyl)amino]-1-phenylethanol;2-[benzyl(methyl)amino]-2-phenylethanol.
What is the SMILES notation for 2-[benzyl(methyl)amino]-1-phenylethanol;2-[benzyl(methyl)amino]-2-phenylethanol?
The canonical SMILES for 2-[benzyl(methyl)amino]-1-phenylethanol;2-[benzyl(methyl)amino]-2-phenylethanol is CN(Cc1ccccc1)C(CO)c1ccccc1.CN(Cc1ccccc1)CC(O)c1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-1-phenylethanol;2-[benzyl(methyl)amino]-2-phenylethanol?
The InChIKey is OQHULJKCBQDDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H19NO/c1-17(12-14-8-4-2-5-9-14)16(13-18)15-10-6-3-7-11-15;1-17(12-14-8-4-2-5-9-14)13-16(18)15-10-6-3-7-11-15/h2*2-11,16,18H,12-13H2,1H3.
What are the key properties of 2-[benzyl(methyl)amino]-1-phenylethanol;2-[benzyl(methyl)amino]-2-phenylethanol?
2-[benzyl(methyl)amino]-1-phenylethanol;2-[benzyl(methyl)amino]-2-phenylethanol has a molecular weight of 482.67 g/mol, XLogP of 5.70, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-1-phenylethanol;2-[benzyl(methyl)amino]-2-phenylethanol is sourced from PubChem (CID 110192818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).