(2R,3R)-3-(4-iodobutyl)-1,2-diphenylazetidine

C19H22IN — CID 102092777

IUPAC(2R,3R)-3-(4-iodobutyl)-1,2-diphenylazetidine
SMILESICCCC[C@@H]1CN(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H22IN/c20-14-8-7-11-17-15-21(18-12-5-2-6-13-18)19(17)16-9-3-1-4-10-16/h1-6,9-10,12-13,17,19H,7-8,11,14-15H2/t17-,19+/m1/s1
InChIKeyFMURNWODBXWXAQ-MJGOQNOKSA-N
MW391.30 g/mol
LogP5.47
Rot. Bonds6

About (2R,3R)-3-(4-iodobutyl)-1,2-diphenylazetidine

(2R,3R)-3-(4-iodobutyl)-1,2-diphenylazetidine (PubChem CID 102092777) has the molecular formula C19H22IN and a molecular weight of 391.30 g/mol. Its IUPAC name is (2R,3R)-3-(4-iodobutyl)-1,2-diphenylazetidine.

Molecular Properties

Compound Name(2R,3R)-3-(4-iodobutyl)-1,2-diphenylazetidine
PubChem CID102092777
Molecular FormulaC19H22IN
Molecular Weight391.30 g/mol
Exact Mass391.08
IUPAC Name(2R,3R)-3-(4-iodobutyl)-1,2-diphenylazetidine
SMILESICCCC[C@@H]1CN(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H22IN/c20-14-8-7-11-17-15-21(18-12-5-2-6-13-18)19(17)16-9-3-1-4-10-16/h1-6,9-10,12-13,17,19H,7-8,11,14-15H2/t17-,19+/m1/s1
InChIKeyFMURNWODBXWXAQ-MJGOQNOKSA-N
XLogP5.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.30
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,3R)-3-(4-iodobutyl)-1,2-diphenylazetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(4-iodobutyl)-1,2-diphenylazetidine?
The IUPAC name of (2R,3R)-3-(4-iodobutyl)-1,2-diphenylazetidine (CID 102092777) is (2R,3R)-3-(4-iodobutyl)-1,2-diphenylazetidine.
What is the SMILES notation for (2R,3R)-3-(4-iodobutyl)-1,2-diphenylazetidine?
The canonical SMILES for (2R,3R)-3-(4-iodobutyl)-1,2-diphenylazetidine is ICCCC[C@@H]1CN(c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-3-(4-iodobutyl)-1,2-diphenylazetidine?
The InChIKey is FMURNWODBXWXAQ-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H22IN/c20-14-8-7-11-17-15-21(18-12-5-2-6-13-18)19(17)16-9-3-1-4-10-16/h1-6,9-10,12-13,17,19H,7-8,11,14-15H2/t17-,19+/m1/s1.
What are the key properties of (2R,3R)-3-(4-iodobutyl)-1,2-diphenylazetidine?
(2R,3R)-3-(4-iodobutyl)-1,2-diphenylazetidine has a molecular weight of 391.30 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(4-iodobutyl)-1,2-diphenylazetidine is sourced from PubChem (CID 102092777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).