4-[2-(5-chloro-2-ethoxyphenyl)ethyl]morpholine;methanamine

C15H25ClN2O2 — CID 177027735

IUPAC4-[2-(5-chloro-2-ethoxyphenyl)ethyl]morpholine;methanamine
SMILESCCOc1ccc(Cl)cc1CCN1CCOCC1.CN
InChIInChI=1S/C14H20ClNO2.CH5N/c1-2-18-14-4-3-13(15)11-12(14)5-6-16-7-9-17-10-8-16;1-2/h3-4,11H,2,5-10H2,1H3;2H2,1H3
InChIKeyTYORGUQAMJSWKM-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.19
Rot. Bonds5

About 4-[2-(5-chloro-2-ethoxyphenyl)ethyl]morpholine;methanamine

4-[2-(5-chloro-2-ethoxyphenyl)ethyl]morpholine;methanamine (PubChem CID 177027735) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 4-[2-(5-chloro-2-ethoxyphenyl)ethyl]morpholine;methanamine.

Molecular Properties

Compound Name4-[2-(5-chloro-2-ethoxyphenyl)ethyl]morpholine;methanamine
PubChem CID177027735
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name4-[2-(5-chloro-2-ethoxyphenyl)ethyl]morpholine;methanamine
SMILESCCOc1ccc(Cl)cc1CCN1CCOCC1.CN
InChIInChI=1S/C14H20ClNO2.CH5N/c1-2-18-14-4-3-13(15)11-12(14)5-6-16-7-9-17-10-8-16;1-2/h3-4,11H,2,5-10H2,1H3;2H2,1H3
InChIKeyTYORGUQAMJSWKM-UHFFFAOYSA-N
XLogP2.19
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine
CID 83933258
4-[3-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870417
4-[3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]propyl]morpholine
CID 170870173
4-[(5-chloro-2-propoxyphenyl)methyl]morpholine;hydron;chloride
CID 660603
4-[3-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870408
1-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylethanone
CID 82051126
4-[(5-chloro-2-pentoxyphenyl)methyl]morpholine chloride
CID 53313942
(1R)-1-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 55189907
[(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 171625171
N-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopropanamine
CID 60883333
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-2-ethoxyphenyl)ethyl]morpholine;methanamine?
The IUPAC name of 4-[2-(5-chloro-2-ethoxyphenyl)ethyl]morpholine;methanamine (CID 177027735) is 4-[2-(5-chloro-2-ethoxyphenyl)ethyl]morpholine;methanamine.
What is the SMILES notation for 4-[2-(5-chloro-2-ethoxyphenyl)ethyl]morpholine;methanamine?
The canonical SMILES for 4-[2-(5-chloro-2-ethoxyphenyl)ethyl]morpholine;methanamine is CCOc1ccc(Cl)cc1CCN1CCOCC1.CN.
What is the InChIKey of 4-[2-(5-chloro-2-ethoxyphenyl)ethyl]morpholine;methanamine?
The InChIKey is TYORGUQAMJSWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2.CH5N/c1-2-18-14-4-3-13(15)11-12(14)5-6-16-7-9-17-10-8-16;1-2/h3-4,11H,2,5-10H2,1H3;2H2,1H3.
What are the key properties of 4-[2-(5-chloro-2-ethoxyphenyl)ethyl]morpholine;methanamine?
4-[2-(5-chloro-2-ethoxyphenyl)ethyl]morpholine;methanamine has a molecular weight of 300.83 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-2-ethoxyphenyl)ethyl]morpholine;methanamine is sourced from PubChem (CID 177027735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).