4-[(5-chloro-2-propoxyphenyl)methyl]morpholine;hydron;chloride

C14H21Cl2NO2 — CID 660603

IUPAC4-[(5-chloro-2-propoxyphenyl)methyl]morpholine;hydron;chloride
SMILESCCCOc1ccc(Cl)cc1CN1CCOCC1.[Cl-].[H+]
InChIInChI=1S/C14H20ClNO2.ClH/c1-2-7-18-14-4-3-13(15)10-12(14)11-16-5-8-17-9-6-16;/h3-4,10H,2,5-9,11H2,1H3;1H
InChIKeyIJRVKFOSOZGHLN-UHFFFAOYSA-N
MW306.23 g/mol
LogP0.08
Rot. Bonds5

About 4-[(5-chloro-2-propoxyphenyl)methyl]morpholine;hydron;chloride

4-[(5-chloro-2-propoxyphenyl)methyl]morpholine;hydron;chloride (PubChem CID 660603) has the molecular formula C14H21Cl2NO2 and a molecular weight of 306.23 g/mol. Its IUPAC name is 4-[(5-chloro-2-propoxyphenyl)methyl]morpholine;hydron;chloride.

Molecular Properties

Compound Name4-[(5-chloro-2-propoxyphenyl)methyl]morpholine;hydron;chloride
PubChem CID660603
Molecular FormulaC14H21Cl2NO2
Molecular Weight306.23 g/mol
Exact Mass305.09
IUPAC Name4-[(5-chloro-2-propoxyphenyl)methyl]morpholine;hydron;chloride
SMILESCCCOc1ccc(Cl)cc1CN1CCOCC1.[Cl-].[H+]
InChIInChI=1S/C14H20ClNO2.ClH/c1-2-7-18-14-4-3-13(15)10-12(14)11-16-5-8-17-9-6-16;/h3-4,10H,2,5-9,11H2,1H3;1H
InChIKeyIJRVKFOSOZGHLN-UHFFFAOYSA-N
XLogP0.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chloro-2-pentoxyphenyl)methyl]morpholine chloride
CID 53313942
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
4-[2-(5-chloro-2-ethoxyphenyl)ethyl]morpholine;methanamine
CID 177027735
2-[4-chloro-2-(pyrrolidin-1-ylmethyl)phenoxy]ethanol;methanamine
CID 171625093
2-(bromomethyl)-4-chloro-1-propoxybenzene
CID 43142008
N-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopropanamine
CID 60883333
[5-[3-(morpholin-4-ylmethyl)phenyl]-2-propoxyphenyl]methanol
CID 72839517
4-[(5-chloro-2-pentoxyphenyl)methyl]morpholin-4-ium chloride
CID 44655465
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 55409153
[(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 171625171
[1-[(2-butoxy-5-chlorophenyl)methyl]pyrrolidin-3-yl]methanamine;ethane
CID 171625215

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-propoxyphenyl)methyl]morpholine;hydron;chloride?
The IUPAC name of 4-[(5-chloro-2-propoxyphenyl)methyl]morpholine;hydron;chloride (CID 660603) is 4-[(5-chloro-2-propoxyphenyl)methyl]morpholine;hydron;chloride.
What is the SMILES notation for 4-[(5-chloro-2-propoxyphenyl)methyl]morpholine;hydron;chloride?
The canonical SMILES for 4-[(5-chloro-2-propoxyphenyl)methyl]morpholine;hydron;chloride is CCCOc1ccc(Cl)cc1CN1CCOCC1.[Cl-].[H+].
What is the InChIKey of 4-[(5-chloro-2-propoxyphenyl)methyl]morpholine;hydron;chloride?
The InChIKey is IJRVKFOSOZGHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2.ClH/c1-2-7-18-14-4-3-13(15)10-12(14)11-16-5-8-17-9-6-16;/h3-4,10H,2,5-9,11H2,1H3;1H.
What are the key properties of 4-[(5-chloro-2-propoxyphenyl)methyl]morpholine;hydron;chloride?
4-[(5-chloro-2-propoxyphenyl)methyl]morpholine;hydron;chloride has a molecular weight of 306.23 g/mol, XLogP of 0.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-propoxyphenyl)methyl]morpholine;hydron;chloride is sourced from PubChem (CID 660603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).