(3S)-3-(4-methoxy-3-phenylmethoxyphenyl)morpholine;hydrochloride

C18H22ClNO3 — CID 171193382

IUPAC(3S)-3-(4-methoxy-3-phenylmethoxyphenyl)morpholine;hydrochloride
SMILESCOc1ccc([C@H]2COCCN2)cc1OCc1ccccc1.Cl
InChIInChI=1S/C18H21NO3.ClH/c1-20-17-8-7-15(16-13-21-10-9-19-16)11-18(17)22-12-14-5-3-2-4-6-14;/h2-8,11,16,19H,9-10,12-13H2,1H3;1H/t16-;/m1./s1
InChIKeyJHGGJLNXXPFXBX-PKLMIRHRSA-N
MW335.83 g/mol
LogP3.36
Rot. Bonds5

About (3S)-3-(4-methoxy-3-phenylmethoxyphenyl)morpholine;hydrochloride

(3S)-3-(4-methoxy-3-phenylmethoxyphenyl)morpholine;hydrochloride (PubChem CID 171193382) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is (3S)-3-(4-methoxy-3-phenylmethoxyphenyl)morpholine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(4-methoxy-3-phenylmethoxyphenyl)morpholine;hydrochloride
PubChem CID171193382
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name(3S)-3-(4-methoxy-3-phenylmethoxyphenyl)morpholine;hydrochloride
SMILESCOc1ccc([C@H]2COCCN2)cc1OCc1ccccc1.Cl
InChIInChI=1S/C18H21NO3.ClH/c1-20-17-8-7-15(16-13-21-10-9-19-16)11-18(17)22-12-14-5-3-2-4-6-14;/h2-8,11,16,19H,9-10,12-13H2,1H3;1H/t16-;/m1./s1
InChIKeyJHGGJLNXXPFXBX-PKLMIRHRSA-N
XLogP3.36
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(3-methoxy-4-phenylmethoxyphenyl)morpholine
CID 171192902
(3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)morpholine;hydrochloride
CID 171193308
(3R)-3-(3,4-dimethoxyphenyl)morpholine
CID 42183336
(2R)-2-(4-methoxy-3-phenylmethoxyphenyl)piperidine
CID 171195670
(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride
CID 171194691
(3S)-3-(3-phenylmethoxyphenyl)morpholine;hydrochloride
CID 171193334
(3S)-3-(3-phenylmethoxyphenyl)morpholine
CID 171193333
(3S)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171193072
2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane
CID 14831922
3-(3-ethyl-4-methoxyphenyl)morpholine
CID 82286598
(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)piperidine
CID 171195092
3-(4-ethoxy-3-fluorophenyl)morpholine
CID 82287553

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methoxy-3-phenylmethoxyphenyl)morpholine;hydrochloride?
The IUPAC name of (3S)-3-(4-methoxy-3-phenylmethoxyphenyl)morpholine;hydrochloride (CID 171193382) is (3S)-3-(4-methoxy-3-phenylmethoxyphenyl)morpholine;hydrochloride.
What is the SMILES notation for (3S)-3-(4-methoxy-3-phenylmethoxyphenyl)morpholine;hydrochloride?
The canonical SMILES for (3S)-3-(4-methoxy-3-phenylmethoxyphenyl)morpholine;hydrochloride is COc1ccc([C@H]2COCCN2)cc1OCc1ccccc1.Cl.
What is the InChIKey of (3S)-3-(4-methoxy-3-phenylmethoxyphenyl)morpholine;hydrochloride?
The InChIKey is JHGGJLNXXPFXBX-PKLMIRHRSA-N. The full InChI is InChI=1S/C18H21NO3.ClH/c1-20-17-8-7-15(16-13-21-10-9-19-16)11-18(17)22-12-14-5-3-2-4-6-14;/h2-8,11,16,19H,9-10,12-13H2,1H3;1H/t16-;/m1./s1.
What are the key properties of (3S)-3-(4-methoxy-3-phenylmethoxyphenyl)morpholine;hydrochloride?
(3S)-3-(4-methoxy-3-phenylmethoxyphenyl)morpholine;hydrochloride has a molecular weight of 335.83 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methoxy-3-phenylmethoxyphenyl)morpholine;hydrochloride is sourced from PubChem (CID 171193382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).