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

C17H20ClNO2 — CID 171193334

IUPAC(3S)-3-(3-phenylmethoxyphenyl)morpholine;hydrochloride
SMILESCl.c1ccc(COc2cccc([C@H]3COCCN3)c2)cc1
InChIInChI=1S/C17H19NO2.ClH/c1-2-5-14(6-3-1)12-20-16-8-4-7-15(11-16)17-13-19-10-9-18-17;/h1-8,11,17-18H,9-10,12-13H2;1H/t17-;/m1./s1
InChIKeyULTPICHOZOAWGA-UNTBIKODSA-N
MW305.81 g/mol
LogP3.35
Rot. Bonds4

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

(3S)-3-(3-phenylmethoxyphenyl)morpholine;hydrochloride (PubChem CID 171193334) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is (3S)-3-(3-phenylmethoxyphenyl)morpholine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(3-phenylmethoxyphenyl)morpholine;hydrochloride
PubChem CID171193334
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name(3S)-3-(3-phenylmethoxyphenyl)morpholine;hydrochloride
SMILESCl.c1ccc(COc2cccc([C@H]3COCCN3)c2)cc1
InChIInChI=1S/C17H19NO2.ClH/c1-2-5-14(6-3-1)12-20-16-8-4-7-15(11-16)17-13-19-10-9-18-17;/h1-8,11,17-18H,9-10,12-13H2;1H/t17-;/m1./s1
InChIKeyULTPICHOZOAWGA-UNTBIKODSA-N
XLogP3.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(3-phenylmethoxyphenyl)morpholine
CID 171193333
(2S)-2-(3-phenylmethoxyphenyl)piperazine;hydrochloride
CID 171193942
(3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)morpholine;hydrochloride
CID 171193308
(3R)-3-(3-methoxy-4-phenylmethoxyphenyl)morpholine
CID 171192902
(3S)-3-(3-methoxyphenyl)morpholine
CID 42183281
3-(3-bromophenyl)morpholine;hydrochloride
CID 122156777
(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
CID 93068855
3-(3-piperidin-4-ylphenyl)morpholine
CID 116988949
(2S)-2-(4-phenylmethoxyphenyl)azetidine;hydrochloride
CID 171196929
(2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
CID 171196054
(2S)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
CID 171196463
methyl (2S,5R)-5-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxylate
CID 59468954

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-phenylmethoxyphenyl)morpholine;hydrochloride?
The IUPAC name of (3S)-3-(3-phenylmethoxyphenyl)morpholine;hydrochloride (CID 171193334) is (3S)-3-(3-phenylmethoxyphenyl)morpholine;hydrochloride.
What is the SMILES notation for (3S)-3-(3-phenylmethoxyphenyl)morpholine;hydrochloride?
The canonical SMILES for (3S)-3-(3-phenylmethoxyphenyl)morpholine;hydrochloride is Cl.c1ccc(COc2cccc([C@H]3COCCN3)c2)cc1.
What is the InChIKey of (3S)-3-(3-phenylmethoxyphenyl)morpholine;hydrochloride?
The InChIKey is ULTPICHOZOAWGA-UNTBIKODSA-N. The full InChI is InChI=1S/C17H19NO2.ClH/c1-2-5-14(6-3-1)12-20-16-8-4-7-15(11-16)17-13-19-10-9-18-17;/h1-8,11,17-18H,9-10,12-13H2;1H/t17-;/m1./s1.
What are the key properties of (3S)-3-(3-phenylmethoxyphenyl)morpholine;hydrochloride?
(3S)-3-(3-phenylmethoxyphenyl)morpholine;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-phenylmethoxyphenyl)morpholine;hydrochloride is sourced from PubChem (CID 171193334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).