1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]-3-methylazetidin-3-ol

C20H22Cl2N2O — CID 170736534

IUPAC1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]-3-methylazetidin-3-ol
SMILESCC1(O)CN(Cc2ccc(C3CN(c4c(Cl)cccc4Cl)C3)cc2)C1
InChIInChI=1S/C20H22Cl2N2O/c1-20(25)12-23(13-20)9-14-5-7-15(8-6-14)16-10-24(11-16)19-17(21)3-2-4-18(19)22/h2-8,16,25H,9-13H2,1H3
InChIKeyWXTZTZAQBLTIIJ-UHFFFAOYSA-N
MW377.32 g/mol
LogP4.16
Rot. Bonds4

About 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]-3-methylazetidin-3-ol

1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]-3-methylazetidin-3-ol (PubChem CID 170736534) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.32 g/mol. Its IUPAC name is 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]-3-methylazetidin-3-ol
PubChem CID170736534
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.32 g/mol
Exact Mass376.11
IUPAC Name1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]-3-methylazetidin-3-ol
SMILESCC1(O)CN(Cc2ccc(C3CN(c4c(Cl)cccc4Cl)C3)cc2)C1
InChIInChI=1S/C20H22Cl2N2O/c1-20(25)12-23(13-20)9-14-5-7-15(8-6-14)16-10-24(11-16)19-17(21)3-2-4-18(19)22/h2-8,16,25H,9-13H2,1H3
InChIKeyWXTZTZAQBLTIIJ-UHFFFAOYSA-N
XLogP4.16
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-chloro-4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-6-methylphenyl]methyl]-3-methylazetidin-3-ol;formic acid
CID 175982105
methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]-4-methylpiperidine-4-carboxylate
CID 166534770
1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 166534947
1-[[4-[3-(2,6-dichlorophenyl)azetidin-1-yl]-3-fluorophenyl]methyl]-3-methylazetidin-3-ol;formic acid
CID 175982107
1-benzyl-3-methylazetidin-3-ol;hydrochloride
CID 155289836
1-[(4-chloro-3-fluorophenyl)methyl]-3-methylazetidin-3-ol
CID 107886027
1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-4-methylpiperidine
CID 167246756
methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]azetidine-3-carboxylate
CID 166534514
1-[2-[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]propan-2-yl]-4-methylpiperidine
CID 166534639
1-[[4-[2-(2,6-difluorophenyl)ethynyl]phenyl]methyl]-3-methylazetidin-3-ol
CID 170736513
1-[[4-[1-(2-fluorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-3-methylazetidin-3-ol
CID 170736586
methyl 1-[[2-cyclopropyl-4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]piperidine-4-carboxylate
CID 166534542

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]-3-methylazetidin-3-ol?
The IUPAC name of 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]-3-methylazetidin-3-ol (CID 170736534) is 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]-3-methylazetidin-3-ol.
What is the SMILES notation for 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]-3-methylazetidin-3-ol?
The canonical SMILES for 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]-3-methylazetidin-3-ol is CC1(O)CN(Cc2ccc(C3CN(c4c(Cl)cccc4Cl)C3)cc2)C1.
What is the InChIKey of 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]-3-methylazetidin-3-ol?
The InChIKey is WXTZTZAQBLTIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c1-20(25)12-23(13-20)9-14-5-7-15(8-6-14)16-10-24(11-16)19-17(21)3-2-4-18(19)22/h2-8,16,25H,9-13H2,1H3.
What are the key properties of 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]-3-methylazetidin-3-ol?
1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]-3-methylazetidin-3-ol has a molecular weight of 377.32 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]-3-methylazetidin-3-ol is sourced from PubChem (CID 170736534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).