1-benzyl-3-ethyl-3-(2-phenylethyl)azetidine

C20H25N — CID 172523024

IUPAC1-benzyl-3-ethyl-3-(2-phenylethyl)azetidine
SMILESCCC1(CCc2ccccc2)CN(Cc2ccccc2)C1
InChIInChI=1S/C20H25N/c1-2-20(14-13-18-9-5-3-6-10-18)16-21(17-20)15-19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3
InChIKeyZSUURVXSQQABDM-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.53
Rot. Bonds6

About 1-benzyl-3-ethyl-3-(2-phenylethyl)azetidine

1-benzyl-3-ethyl-3-(2-phenylethyl)azetidine (PubChem CID 172523024) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-benzyl-3-ethyl-3-(2-phenylethyl)azetidine.

Molecular Properties

Compound Name1-benzyl-3-ethyl-3-(2-phenylethyl)azetidine
PubChem CID172523024
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name1-benzyl-3-ethyl-3-(2-phenylethyl)azetidine
SMILESCCC1(CCc2ccccc2)CN(Cc2ccccc2)C1
InChIInChI=1S/C20H25N/c1-2-20(14-13-18-9-5-3-6-10-18)16-21(17-20)15-19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3
InChIKeyZSUURVXSQQABDM-UHFFFAOYSA-N
XLogP4.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-chloro-3-ethylazetidine
CID 135395939
[1-benzyl-3-(chloromethyl)azetidin-3-yl]methanol
CID 135038184
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
[3-[(3,3-diethylazetidin-1-yl)methyl]phenyl]methanamine
CID 79686889
1-benzyl-3-methylazetidin-3-ol;hydrochloride
CID 155289836
1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride
CID 22645922
4-benzyl-1-methylpiperazine-2,2,6,6-tetrol
CID 129179319
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
N-[4-[[(3S)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 135322598
3-[(3,3-diethylazetidin-1-yl)methyl]benzonitrile
CID 79687926
1-benzyl-3-chloro-3-(1-chloroethyl)azetidine
CID 102361732
1-benzyl-4-butylpiperazine;ethane
CID 90954358

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-ethyl-3-(2-phenylethyl)azetidine?
The IUPAC name of 1-benzyl-3-ethyl-3-(2-phenylethyl)azetidine (CID 172523024) is 1-benzyl-3-ethyl-3-(2-phenylethyl)azetidine.
What is the SMILES notation for 1-benzyl-3-ethyl-3-(2-phenylethyl)azetidine?
The canonical SMILES for 1-benzyl-3-ethyl-3-(2-phenylethyl)azetidine is CCC1(CCc2ccccc2)CN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-ethyl-3-(2-phenylethyl)azetidine?
The InChIKey is ZSUURVXSQQABDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-2-20(14-13-18-9-5-3-6-10-18)16-21(17-20)15-19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3.
What are the key properties of 1-benzyl-3-ethyl-3-(2-phenylethyl)azetidine?
1-benzyl-3-ethyl-3-(2-phenylethyl)azetidine has a molecular weight of 279.43 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-ethyl-3-(2-phenylethyl)azetidine is sourced from PubChem (CID 172523024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).