3-[1-(2-chlorophenyl)propyl]-1,3-oxazolidine;hydrochloride

C12H17Cl2NO — CID 3056407

IUPAC3-[1-(2-chlorophenyl)propyl]-1,3-oxazolidine;hydrochloride
SMILESCCC(c1ccccc1Cl)N1CCOC1.Cl
InChIInChI=1S/C12H16ClNO.ClH/c1-2-12(14-7-8-15-9-14)10-5-3-4-6-11(10)13;/h3-6,12H,2,7-9H2,1H3;1H
InChIKeyZWLGKDOXEYLGJF-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.50
Rot. Bonds3

About 3-[1-(2-chlorophenyl)propyl]-1,3-oxazolidine;hydrochloride

3-[1-(2-chlorophenyl)propyl]-1,3-oxazolidine;hydrochloride (PubChem CID 3056407) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)propyl]-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)propyl]-1,3-oxazolidine;hydrochloride
PubChem CID3056407
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name3-[1-(2-chlorophenyl)propyl]-1,3-oxazolidine;hydrochloride
SMILESCCC(c1ccccc1Cl)N1CCOC1.Cl
InChIInChI=1S/C12H16ClNO.ClH/c1-2-12(14-7-8-15-9-14)10-5-3-4-6-11(10)13;/h3-6,12H,2,7-9H2,1H3;1H
InChIKeyZWLGKDOXEYLGJF-UHFFFAOYSA-N
XLogP3.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Chlorobenzyl)-2,6-dimethylmorpholine
CID 2843397
4-(2-Chlorobenzyl)morpholine
CID 782978
4-[(2,6-Dichlorophenyl)methyl]morpholine
CID 2846033
Morpholine, 4-(1-(p-chlorophenyl)butyl)-, hydrochloride
CID 3057363
Pyrrolidine, 1-(p-chloro-alpha-ethylbenzyl)-, hydrochloride
CID 3057462
Pyrrolidine, 1-(1-(p-chlorophenyl)pentyl)-, hydrochloride
CID 3057476
Pyrrolidine, 1-(m-chloro-alpha-ethylbenzyl)-, hydrochloride
CID 3057458
2-(2-Chlorophenyl)-2-(morpholin-4-yl)acetonitrile
CID 3810475
3-(4-chlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
CID 54767408
Oxazolidine, 3-(p-chloro-alpha-ethylbenzyl)-, hydrochloride
CID 3056409
Oxazolidine, 3-(o-chloro-alpha-ethylbenzyl)-4-methyl-, hydrochloride
CID 3056411
Oxazolidine, 3-(1-(p-chlorophenyl)butyl)-, hydrochloride
CID 3056413

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)propyl]-1,3-oxazolidine;hydrochloride?
The IUPAC name of 3-[1-(2-chlorophenyl)propyl]-1,3-oxazolidine;hydrochloride (CID 3056407) is 3-[1-(2-chlorophenyl)propyl]-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 3-[1-(2-chlorophenyl)propyl]-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 3-[1-(2-chlorophenyl)propyl]-1,3-oxazolidine;hydrochloride is CCC(c1ccccc1Cl)N1CCOC1.Cl.
What is the InChIKey of 3-[1-(2-chlorophenyl)propyl]-1,3-oxazolidine;hydrochloride?
The InChIKey is ZWLGKDOXEYLGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO.ClH/c1-2-12(14-7-8-15-9-14)10-5-3-4-6-11(10)13;/h3-6,12H,2,7-9H2,1H3;1H.
What are the key properties of 3-[1-(2-chlorophenyl)propyl]-1,3-oxazolidine;hydrochloride?
3-[1-(2-chlorophenyl)propyl]-1,3-oxazolidine;hydrochloride has a molecular weight of 262.18 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)propyl]-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 3056407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).