3-(anilinomethyl)-1-benzhydrylazetidin-3-ol

C23H24N2O — CID 68555934

IUPAC3-(anilinomethyl)-1-benzhydrylazetidin-3-ol
SMILESOC1(CNc2ccccc2)CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H24N2O/c26-23(16-24-21-14-8-3-9-15-21)17-25(18-23)22(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-15,22,24,26H,16-18H2
InChIKeyTVYKTFJDPMMXCR-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.93
Rot. Bonds6

About 3-(anilinomethyl)-1-benzhydrylazetidin-3-ol

3-(anilinomethyl)-1-benzhydrylazetidin-3-ol (PubChem CID 68555934) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-(anilinomethyl)-1-benzhydrylazetidin-3-ol.

Molecular Properties

Compound Name3-(anilinomethyl)-1-benzhydrylazetidin-3-ol
PubChem CID68555934
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name3-(anilinomethyl)-1-benzhydrylazetidin-3-ol
SMILESOC1(CNc2ccccc2)CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H24N2O/c26-23(16-24-21-14-8-3-9-15-21)17-25(18-23)22(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-15,22,24,26H,16-18H2
InChIKeyTVYKTFJDPMMXCR-UHFFFAOYSA-N
XLogP3.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzhydryl-3-hydroxyazetidin-3-yl)methyl]-methylboronamidic acid
CID 20668520
1-benzhydryl-3-(sulfanylmethyl)azetidin-3-ol
CID 89059165
tert-butyl N-[2-(1-benzhydryl-3-hydroxyazetidin-3-yl)ethyl]carbamate
CID 138987642
3-(anilinomethyl)azetidin-3-ol
CID 69111462
(1-benzhydryl-3-methylazetidin-3-yl)methylcarbamic acid
CID 66953063
1-[cyclohexa-1,5-dien-3-yn-1-yl(phenyl)methyl]-3-ethylazetidin-3-ol
CID 163386886
4-(anilinomethyl)piperidin-4-ol
CID 56773843
2-(1-benzhydryl-3-hydroxyazetidin-3-yl)-3,3-dimethylbutanoic acid
CID 67051529
1-benzhydryl-3,3-dimethylazetidine;1-benzhydryl-3-methylazetidin-3-ol;3-methylazetidin-3-ol
CID 158144824
1-benzhydryl-3-[methylsulfonyl(phenyl)methyl]azetidin-3-ol
CID 11441159
(3S,4S,5S,6S)-1-benzhydrylazepane-3,4,5,6-tetrol
CID 10568359
1-benzhydryl-3-(triazol-1-ylmethyl)pyrrolidin-3-ol
CID 154800249

Frequently Asked Questions

What is the IUPAC name of 3-(anilinomethyl)-1-benzhydrylazetidin-3-ol?
The IUPAC name of 3-(anilinomethyl)-1-benzhydrylazetidin-3-ol (CID 68555934) is 3-(anilinomethyl)-1-benzhydrylazetidin-3-ol.
What is the SMILES notation for 3-(anilinomethyl)-1-benzhydrylazetidin-3-ol?
The canonical SMILES for 3-(anilinomethyl)-1-benzhydrylazetidin-3-ol is OC1(CNc2ccccc2)CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 3-(anilinomethyl)-1-benzhydrylazetidin-3-ol?
The InChIKey is TVYKTFJDPMMXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c26-23(16-24-21-14-8-3-9-15-21)17-25(18-23)22(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-15,22,24,26H,16-18H2.
What are the key properties of 3-(anilinomethyl)-1-benzhydrylazetidin-3-ol?
3-(anilinomethyl)-1-benzhydrylazetidin-3-ol has a molecular weight of 344.46 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(anilinomethyl)-1-benzhydrylazetidin-3-ol is sourced from PubChem (CID 68555934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).