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

C12H17Cl2NO — CID 3057359

IUPAC4-[1-(2-chlorophenyl)ethyl]morpholine;hydrochloride
SMILESCC(c1ccccc1Cl)N1CCOCC1.Cl
InChIInChI=1S/C12H16ClNO.ClH/c1-10(14-6-8-15-9-7-14)11-4-2-3-5-12(11)13;/h2-5,10H,6-9H2,1H3;1H
InChIKeyJQNNETQEOOAJIQ-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.15
Rot. Bonds2

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

4-[1-(2-chlorophenyl)ethyl]morpholine;hydrochloride (PubChem CID 3057359) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 4-[1-(2-chlorophenyl)ethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[1-(2-chlorophenyl)ethyl]morpholine;hydrochloride
PubChem CID3057359
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name4-[1-(2-chlorophenyl)ethyl]morpholine;hydrochloride
SMILESCC(c1ccccc1Cl)N1CCOCC1.Cl
InChIInChI=1S/C12H16ClNO.ClH/c1-10(14-6-8-15-9-7-14)11-4-2-3-5-12(11)13;/h2-5,10H,6-9H2,1H3;1H
InChIKeyJQNNETQEOOAJIQ-UHFFFAOYSA-N
XLogP3.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.15
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)ethyl]morpholine;hydrochloride?
The IUPAC name of 4-[1-(2-chlorophenyl)ethyl]morpholine;hydrochloride (CID 3057359) is 4-[1-(2-chlorophenyl)ethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[1-(2-chlorophenyl)ethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[1-(2-chlorophenyl)ethyl]morpholine;hydrochloride is CC(c1ccccc1Cl)N1CCOCC1.Cl.
What is the InChIKey of 4-[1-(2-chlorophenyl)ethyl]morpholine;hydrochloride?
The InChIKey is JQNNETQEOOAJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO.ClH/c1-10(14-6-8-15-9-7-14)11-4-2-3-5-12(11)13;/h2-5,10H,6-9H2,1H3;1H.
What are the key properties of 4-[1-(2-chlorophenyl)ethyl]morpholine;hydrochloride?
4-[1-(2-chlorophenyl)ethyl]morpholine;hydrochloride has a molecular weight of 262.18 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chlorophenyl)ethyl]morpholine;hydrochloride is sourced from PubChem (CID 3057359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).