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

C26H32ClNO2 — CID 19775313

IUPAC[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol;hydrochloride
SMILESCN(Cc1ccc(CO)cc1)C(C)(C)COC(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C26H31NO2.ClH/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;1H
InChIKeyHYVJAOHIKQBVBD-UHFFFAOYSA-N
MW426.00 g/mol
LogP5.62
Rot. Bonds9

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

[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol;hydrochloride (PubChem CID 19775313) has the molecular formula C26H32ClNO2 and a molecular weight of 426.00 g/mol. Its IUPAC name is [4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol;hydrochloride.

Molecular Properties

Compound Name[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol;hydrochloride
PubChem CID19775313
Molecular FormulaC26H32ClNO2
Molecular Weight426.00 g/mol
Exact Mass425.21
IUPAC Name[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol;hydrochloride
SMILESCN(Cc1ccc(CO)cc1)C(C)(C)COC(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C26H31NO2.ClH/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;1H
InChIKeyHYVJAOHIKQBVBD-UHFFFAOYSA-N
XLogP5.62
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.00
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol;hydrochloride?
The IUPAC name of [4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol;hydrochloride (CID 19775313) is [4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol;hydrochloride.
What is the SMILES notation for [4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol;hydrochloride?
The canonical SMILES for [4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol;hydrochloride is CN(Cc1ccc(CO)cc1)C(C)(C)COC(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of [4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol;hydrochloride?
The InChIKey is HYVJAOHIKQBVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO2.ClH/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;1H.
What are the key properties of [4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol;hydrochloride?
[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanol;hydrochloride has a molecular weight of 426.00 g/mol, XLogP of 5.62, 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;hydrochloride is sourced from PubChem (CID 19775313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).