3-(2-chlorophenyl)-3-decylazetidine

C19H30ClN — CID 79460995

IUPAC3-(2-chlorophenyl)-3-decylazetidine
SMILESCCCCCCCCCCC1(c2ccccc2Cl)CNC1
InChIInChI=1S/C19H30ClN/c1-2-3-4-5-6-7-8-11-14-19(15-21-16-19)17-12-9-10-13-18(17)20/h9-10,12-13,21H,2-8,11,14-16H2,1H3
InChIKeyAVJUXMAAZGWJFO-UHFFFAOYSA-N
MW307.91 g/mol
LogP5.71
Rot. Bonds10

About 3-(2-chlorophenyl)-3-decylazetidine

3-(2-chlorophenyl)-3-decylazetidine (PubChem CID 79460995) has the molecular formula C19H30ClN and a molecular weight of 307.91 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-decylazetidine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-decylazetidine
PubChem CID79460995
Molecular FormulaC19H30ClN
Molecular Weight307.91 g/mol
Exact Mass307.21
IUPAC Name3-(2-chlorophenyl)-3-decylazetidine
SMILESCCCCCCCCCCC1(c2ccccc2Cl)CNC1
InChIInChI=1S/C19H30ClN/c1-2-3-4-5-6-7-8-11-14-19(15-21-16-19)17-12-9-10-13-18(17)20/h9-10,12-13,21H,2-8,11,14-16H2,1H3
InChIKeyAVJUXMAAZGWJFO-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.91
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-decyl-3-(2-fluorophenyl)azetidine
CID 79459999
3-(2-chlorophenyl)-3-(3-ethoxypropyl)azetidine
CID 79459718
3-(2-chlorophenyl)-3-(2-methylsulfonylethyl)azetidine
CID 79459716
3-benzyl-3-nonylazetidine
CID 79451822
5-[[3-(2-chlorophenyl)azetidin-3-yl]methyl]-1-ethyl-1,2,4-triazole
CID 79461096
4-[[3-(2-chlorophenyl)azetidin-3-yl]methyl]-1-ethylpyrazole
CID 79460191
3-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-chlorophenyl)azetidine
CID 79461001
3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2-chlorophenyl)azetidine
CID 79550928
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
CID 175277207
CID 175277207
3-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine
CID 79460494

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-decylazetidine?
The IUPAC name of 3-(2-chlorophenyl)-3-decylazetidine (CID 79460995) is 3-(2-chlorophenyl)-3-decylazetidine.
What is the SMILES notation for 3-(2-chlorophenyl)-3-decylazetidine?
The canonical SMILES for 3-(2-chlorophenyl)-3-decylazetidine is CCCCCCCCCCC1(c2ccccc2Cl)CNC1.
What is the InChIKey of 3-(2-chlorophenyl)-3-decylazetidine?
The InChIKey is AVJUXMAAZGWJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN/c1-2-3-4-5-6-7-8-11-14-19(15-21-16-19)17-12-9-10-13-18(17)20/h9-10,12-13,21H,2-8,11,14-16H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-3-decylazetidine?
3-(2-chlorophenyl)-3-decylazetidine has a molecular weight of 307.91 g/mol, XLogP of 5.71, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-decylazetidine is sourced from PubChem (CID 79460995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).