4-[1-(2-chlorophenyl)butyl]morpholine;hydrochloride

C14H21Cl2NO — CID 3057361

IUPAC4-[1-(2-chlorophenyl)butyl]morpholine;hydrochloride
SMILESCCCC(c1ccccc1Cl)N1CCOCC1.Cl
InChIInChI=1S/C14H20ClNO.ClH/c1-2-5-14(16-8-10-17-11-9-16)12-6-3-4-7-13(12)15;/h3-4,6-7,14H,2,5,8-11H2,1H3;1H
InChIKeyNCALCOKRISZMEL-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.94
Rot. Bonds4

About 4-[1-(2-chlorophenyl)butyl]morpholine;hydrochloride

4-[1-(2-chlorophenyl)butyl]morpholine;hydrochloride (PubChem CID 3057361) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 4-[1-(2-chlorophenyl)butyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[1-(2-chlorophenyl)butyl]morpholine;hydrochloride
PubChem CID3057361
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name4-[1-(2-chlorophenyl)butyl]morpholine;hydrochloride
SMILESCCCC(c1ccccc1Cl)N1CCOCC1.Cl
InChIInChI=1S/C14H20ClNO.ClH/c1-2-5-14(16-8-10-17-11-9-16)12-6-3-4-7-13(12)15;/h3-4,6-7,14H,2,5,8-11H2,1H3;1H
InChIKeyNCALCOKRISZMEL-UHFFFAOYSA-N
XLogP3.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Chlorophenyl)(morpholino)methanethione
CID 684261
2-(2-Chlorophenyl)-2-(morpholin-4-yl)ethylamine
CID 3847395
2-(Chloromethyl)-4-[(2-chlorophenyl)methyl]morpholine
CID 4962062
4-[(4-Chlorophenyl)methyl]morpholine
CID 783204
4-(2-Chlorobenzyl)-2,6-dimethylmorpholine
CID 2843397
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
CID 54767240
4-(2-Chlorobenzyl)morpholine
CID 782978
4-[(2,6-Dichlorophenyl)methyl]morpholine
CID 2846033
4-(2,4-Dichlorobenzyl)-2,6-dimethylmorpholine
CID 2843289
[2-(2-Chloro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-diethyl-amine
CID 44404568
4-(2-Chloro-6-fluorobenzyl)morpholine
CID 677371
4-[(2,3-Dichlorophenyl)methyl]morpholine
CID 782574

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chlorophenyl)butyl]morpholine;hydrochloride?
The IUPAC name of 4-[1-(2-chlorophenyl)butyl]morpholine;hydrochloride (CID 3057361) is 4-[1-(2-chlorophenyl)butyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[1-(2-chlorophenyl)butyl]morpholine;hydrochloride?
The canonical SMILES for 4-[1-(2-chlorophenyl)butyl]morpholine;hydrochloride is CCCC(c1ccccc1Cl)N1CCOCC1.Cl.
What is the InChIKey of 4-[1-(2-chlorophenyl)butyl]morpholine;hydrochloride?
The InChIKey is NCALCOKRISZMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO.ClH/c1-2-5-14(16-8-10-17-11-9-16)12-6-3-4-7-13(12)15;/h3-4,6-7,14H,2,5,8-11H2,1H3;1H.
What are the key properties of 4-[1-(2-chlorophenyl)butyl]morpholine;hydrochloride?
4-[1-(2-chlorophenyl)butyl]morpholine;hydrochloride has a molecular weight of 290.23 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chlorophenyl)butyl]morpholine;hydrochloride is sourced from PubChem (CID 3057361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).