4-[(3-chloro-4-pentoxyphenyl)methyl]morpholine;hydrochloride

C16H25Cl2NO2 — CID 6602656

IUPAC4-[(3-chloro-4-pentoxyphenyl)methyl]morpholine;hydrochloride
SMILESCCCCCOc1ccc(CN2CCOCC2)cc1Cl.Cl
InChIInChI=1S/C16H24ClNO2.ClH/c1-2-3-4-9-20-16-6-5-14(12-15(16)17)13-18-7-10-19-11-8-18;/h5-6,12H,2-4,7-11,13H2,1H3;1H
InChIKeyHKZYAJQOKPWRSR-UHFFFAOYSA-N
MW334.29 g/mol
LogP4.16
Rot. Bonds7

About 4-[(3-chloro-4-pentoxyphenyl)methyl]morpholine;hydrochloride

4-[(3-chloro-4-pentoxyphenyl)methyl]morpholine;hydrochloride (PubChem CID 6602656) has the molecular formula C16H25Cl2NO2 and a molecular weight of 334.29 g/mol. Its IUPAC name is 4-[(3-chloro-4-pentoxyphenyl)methyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[(3-chloro-4-pentoxyphenyl)methyl]morpholine;hydrochloride
PubChem CID6602656
Molecular FormulaC16H25Cl2NO2
Molecular Weight334.29 g/mol
Exact Mass333.13
IUPAC Name4-[(3-chloro-4-pentoxyphenyl)methyl]morpholine;hydrochloride
SMILESCCCCCOc1ccc(CN2CCOCC2)cc1Cl.Cl
InChIInChI=1S/C16H24ClNO2.ClH/c1-2-3-4-9-20-16-6-5-14(12-15(16)17)13-18-7-10-19-11-8-18;/h5-6,12H,2-4,7-11,13H2,1H3;1H
InChIKeyHKZYAJQOKPWRSR-UHFFFAOYSA-N
XLogP4.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3-Chloro-4-methoxy-benzyl)-diethyl-amine
CID 16682230
4-[5-(2-Chloro-4-methylphenoxy)pentyl]morpholine
CID 4141331
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 9549741
4-Benzyl-2-(4-chloro-2-methoxy-phenoxymethyl)-morpholine
CID 11428005
Diethyl-[2-(4-piperidin-1-ylmethyl-phenoxy)-ethyl]-amine
CID 11808427
N-(3-chloro-4-methoxybenzyl)-2-methyl-2-propanamine hydrochloride
CID 2981618
4-(5-Chloro-2-(isopentyloxy)benzyl)morpholine hydrochloride
CID 6603197
(4-Allyloxy-3-chloro-5-methoxy-benzyl)-(3-morpholin-4-yl-propyl)-amine
CID 24747095
N,N-dimethyl-2-[4-(piperidin-1-ylmethyl)phenoxy]ethanamine
CID 44351678
(2S)-4-[(3-chloro-4-methoxyphenyl)methyl]-2-[(3-fluorophenoxy)methyl]morpholine
CID 127029387
3-[[(2S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-2-yl]methoxy]benzonitrile
CID 127031201
(2S)-4-[(3-chloro-4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 127031508

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-pentoxyphenyl)methyl]morpholine;hydrochloride?
The IUPAC name of 4-[(3-chloro-4-pentoxyphenyl)methyl]morpholine;hydrochloride (CID 6602656) is 4-[(3-chloro-4-pentoxyphenyl)methyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[(3-chloro-4-pentoxyphenyl)methyl]morpholine;hydrochloride?
The canonical SMILES for 4-[(3-chloro-4-pentoxyphenyl)methyl]morpholine;hydrochloride is CCCCCOc1ccc(CN2CCOCC2)cc1Cl.Cl.
What is the InChIKey of 4-[(3-chloro-4-pentoxyphenyl)methyl]morpholine;hydrochloride?
The InChIKey is HKZYAJQOKPWRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2.ClH/c1-2-3-4-9-20-16-6-5-14(12-15(16)17)13-18-7-10-19-11-8-18;/h5-6,12H,2-4,7-11,13H2,1H3;1H.
What are the key properties of 4-[(3-chloro-4-pentoxyphenyl)methyl]morpholine;hydrochloride?
4-[(3-chloro-4-pentoxyphenyl)methyl]morpholine;hydrochloride has a molecular weight of 334.29 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-pentoxyphenyl)methyl]morpholine;hydrochloride is sourced from PubChem (CID 6602656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).