[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol

C26H31NO2 — CID 19775314

IUPAC[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol
SMILESCN(Cc1ccc(CO)cc1)C(C)(C)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31NO2/c1-26(2,27(3)18-21-14-16-22(19-28)17-15-21)20-29-25(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-17,25,28H,18-20H2,1-3H3
InChIKeyCCZADKNKZONDKK-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.20
Rot. Bonds9

About [4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol

[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol (PubChem CID 19775314) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is [4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol
PubChem CID19775314
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC Name[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol
SMILESCN(Cc1ccc(CO)cc1)C(C)(C)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31NO2/c1-26(2,27(3)18-21-14-16-22(19-28)17-15-21)20-29-25(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-17,25,28H,18-20H2,1-3H3
InChIKeyCCZADKNKZONDKK-UHFFFAOYSA-N
XLogP5.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzenemethanol, alpha-((bis(phenylmethyl)amino)methyl)-
CID 48897
Difeterol
CID 208836
1-(2-Ethoxy-1-phenylethyl)-4-phenylpiperidin-4-ol
CID 44426817
(3,5-Di-p-tolyl-oxazolo[3,4-c]oxazol-7a-yl)-methanol
CID 626288
2-Morpholino-1,1,2-triphenylethanol
CID 46885513
(1S,4R)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benzyl)-piperidin-3-ol
CID 44273770
alpha-[[Methyl-[[2'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]methyl]amino]methyl]-benzenemethanol
CID 10249485
(3R,4S)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benzyl)-piperidin-3-ol
CID 10895056
(3S,4S)-4-(2-Benzhydryloxy-ethyl)-1-(4-fluoro-benzyl)-piperidin-3-ol
CID 11464267
1-[2-(Hydroxymethyl)piperidin-1-yl]-3-[(4-methylphenyl)-phenylmethoxy]propan-2-ol
CID 3324363
(+/-)-2-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-yl]-2-phenyl-ethanol
CID 10862638
2-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-phenylethanol
CID 10863340

Frequently Asked Questions

What is the IUPAC name of [4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol (CID 19775314) is [4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol is CN(Cc1ccc(CO)cc1)C(C)(C)COC(c1ccccc1)c1ccccc1.
What is the InChIKey of [4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol?
The InChIKey is CCZADKNKZONDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO2/c1-26(2,27(3)18-21-14-16-22(19-28)17-15-21)20-29-25(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-17,25,28H,18-20H2,1-3H3.
What are the key properties of [4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol?
[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol has a molecular weight of 389.54 g/mol, XLogP of 5.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 19775314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).