3-(benzhydrylamino)-2-phenylpropan-1-ol;perchloric acid

C22H24ClNO5 — CID 87261260

IUPAC3-(benzhydrylamino)-2-phenylpropan-1-ol;perchloric acid
SMILESOCC(CNC(c1ccccc1)c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C22H23NO.ClHO4/c24-17-21(18-10-4-1-5-11-18)16-23-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20;2-1(3,4)5/h1-15,21-24H,16-17H2;(H,2,3,4,5)
InChIKeyCBWAZUNTMYQBAM-UHFFFAOYSA-N
MW417.89 g/mol
LogP0.02
Rot. Bonds7

About 3-(benzhydrylamino)-2-phenylpropan-1-ol;perchloric acid

3-(benzhydrylamino)-2-phenylpropan-1-ol;perchloric acid (PubChem CID 87261260) has the molecular formula C22H24ClNO5 and a molecular weight of 417.89 g/mol. Its IUPAC name is 3-(benzhydrylamino)-2-phenylpropan-1-ol;perchloric acid.

Molecular Properties

Compound Name3-(benzhydrylamino)-2-phenylpropan-1-ol;perchloric acid
PubChem CID87261260
Molecular FormulaC22H24ClNO5
Molecular Weight417.89 g/mol
Exact Mass417.13
IUPAC Name3-(benzhydrylamino)-2-phenylpropan-1-ol;perchloric acid
SMILESOCC(CNC(c1ccccc1)c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C22H23NO.ClHO4/c24-17-21(18-10-4-1-5-11-18)16-23-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20;2-1(3,4)5/h1-15,21-24H,16-17H2;(H,2,3,4,5)
InChIKeyCBWAZUNTMYQBAM-UHFFFAOYSA-N
XLogP0.02
TPSA121.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,5S)-2,5-diphenylhexane-1,6-diol
CID 102169365
3-(2-methylpropylamino)-2-phenylpropan-1-ol
CID 115876691
(3-hydroxy-2-phenylpropyl)-λ2-stannane
CID 173264317
N-benzhydryl-2-bromopropan-1-amine
CID 57148463
N,N'-dibenzhydrylethane-1,2-diamine dichloride
CID 51371244
(2R)-2-(2-phenylpentylamino)propan-1-ol
CID 103920553
3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol
CID 56973826
N-(3-hydroxy-2-phenylpropyl)-2-(methylamino)acetamide
CID 120704917
N'-benzhydrylmethanediamine
CID 142515957
(1R)-2-[[(R)-phenyl(pyridin-4-yl)methyl]amino]-1-pyridin-4-ylethanol
CID 99852293
3-(benzhydrylamino)-2-methylpropanamide
CID 43312171
(Z)-4-(benzhydrylamino)but-2-en-1-ol
CID 139636767

Frequently Asked Questions

What is the IUPAC name of 3-(benzhydrylamino)-2-phenylpropan-1-ol;perchloric acid?
The IUPAC name of 3-(benzhydrylamino)-2-phenylpropan-1-ol;perchloric acid (CID 87261260) is 3-(benzhydrylamino)-2-phenylpropan-1-ol;perchloric acid.
What is the SMILES notation for 3-(benzhydrylamino)-2-phenylpropan-1-ol;perchloric acid?
The canonical SMILES for 3-(benzhydrylamino)-2-phenylpropan-1-ol;perchloric acid is OCC(CNC(c1ccccc1)c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of 3-(benzhydrylamino)-2-phenylpropan-1-ol;perchloric acid?
The InChIKey is CBWAZUNTMYQBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO.ClHO4/c24-17-21(18-10-4-1-5-11-18)16-23-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20;2-1(3,4)5/h1-15,21-24H,16-17H2;(H,2,3,4,5).
What are the key properties of 3-(benzhydrylamino)-2-phenylpropan-1-ol;perchloric acid?
3-(benzhydrylamino)-2-phenylpropan-1-ol;perchloric acid has a molecular weight of 417.89 g/mol, XLogP of 0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzhydrylamino)-2-phenylpropan-1-ol;perchloric acid is sourced from PubChem (CID 87261260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).