(2R,3R)-1-benzyl-2-(chloromethyl)-3-phenylazetidine

C17H18ClN — CID 101250941

IUPAC(2R,3R)-1-benzyl-2-(chloromethyl)-3-phenylazetidine
SMILESClC[C@H]1[C@H](c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C17H18ClN/c18-11-17-16(15-9-5-2-6-10-15)13-19(17)12-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2/t16-,17-/m0/s1
InChIKeyJMKJFISAJHFZPU-IRXDYDNUSA-N
MW271.79 g/mol
LogP3.89
Rot. Bonds4

About (2R,3R)-1-benzyl-2-(chloromethyl)-3-phenylazetidine

(2R,3R)-1-benzyl-2-(chloromethyl)-3-phenylazetidine (PubChem CID 101250941) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is (2R,3R)-1-benzyl-2-(chloromethyl)-3-phenylazetidine.

Molecular Properties

Compound Name(2R,3R)-1-benzyl-2-(chloromethyl)-3-phenylazetidine
PubChem CID101250941
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name(2R,3R)-1-benzyl-2-(chloromethyl)-3-phenylazetidine
SMILESClC[C@H]1[C@H](c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C17H18ClN/c18-11-17-16(15-9-5-2-6-10-15)13-19(17)12-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2/t16-,17-/m0/s1
InChIKeyJMKJFISAJHFZPU-IRXDYDNUSA-N
XLogP3.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[(2S,3R)-1-benzyl-3-phenylazetidin-2-yl]methyl methanesulfonate
CID 101250953
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
1-(1-benzyl-3-phenylazetidin-2-yl)ethanone
CID 86209046
(1S)-1-[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-2-methylpropan-1-amine
CID 101385103
(2R,3S,6R)-5-benzyl-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecane
CID 56865189
(E)-3-[(2S,3R)-1-benzyl-3-phenylazetidin-2-yl]prop-2-en-1-ol
CID 101349406
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
(2R,3R,4R,5S)-1-benzyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 10131235
(2S,3S,4S)-1-benzyl-2-(chloromethyl)-4-methyl-3-phenylazetidine
CID 53344124
(3S,3aR,8aS)-1-benzyl-4,4-difluoro-3-phenyl-2,3,3a,5,6,7,8,8a-octahydrocyclohepta[b]pyrrole
CID 82017425
1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572
1-benzyl-3-[(4-chlorophenyl)methyl]-2-phenylimidazolidine
CID 101217631

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-benzyl-2-(chloromethyl)-3-phenylazetidine?
The IUPAC name of (2R,3R)-1-benzyl-2-(chloromethyl)-3-phenylazetidine (CID 101250941) is (2R,3R)-1-benzyl-2-(chloromethyl)-3-phenylazetidine.
What is the SMILES notation for (2R,3R)-1-benzyl-2-(chloromethyl)-3-phenylazetidine?
The canonical SMILES for (2R,3R)-1-benzyl-2-(chloromethyl)-3-phenylazetidine is ClC[C@H]1[C@H](c2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of (2R,3R)-1-benzyl-2-(chloromethyl)-3-phenylazetidine?
The InChIKey is JMKJFISAJHFZPU-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H18ClN/c18-11-17-16(15-9-5-2-6-10-15)13-19(17)12-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2/t16-,17-/m0/s1.
What are the key properties of (2R,3R)-1-benzyl-2-(chloromethyl)-3-phenylazetidine?
(2R,3R)-1-benzyl-2-(chloromethyl)-3-phenylazetidine has a molecular weight of 271.79 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-benzyl-2-(chloromethyl)-3-phenylazetidine is sourced from PubChem (CID 101250941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).