(3S)-3-(3-phenylmethoxyphenyl)morpholine

C17H19NO2 — CID 171193333

IUPAC(3S)-3-(3-phenylmethoxyphenyl)morpholine
SMILESc1ccc(COc2cccc([C@H]3COCCN3)c2)cc1
InChIInChI=1S/C17H19NO2/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/t17-/m1/s1
InChIKeyQBRCAZZHXDSZMS-QGZVFWFLSA-N
MW269.34 g/mol
LogP2.93
Rot. Bonds4

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

(3S)-3-(3-phenylmethoxyphenyl)morpholine (PubChem CID 171193333) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (3S)-3-(3-phenylmethoxyphenyl)morpholine.

Molecular Properties

Compound Name(3S)-3-(3-phenylmethoxyphenyl)morpholine
PubChem CID171193333
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(3S)-3-(3-phenylmethoxyphenyl)morpholine
SMILESc1ccc(COc2cccc([C@H]3COCCN3)c2)cc1
InChIInChI=1S/C17H19NO2/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/t17-/m1/s1
InChIKeyQBRCAZZHXDSZMS-QGZVFWFLSA-N
XLogP2.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(3-phenylmethoxyphenyl)morpholine;hydrochloride
CID 171193334
(2S)-2-(3-phenylmethoxyphenyl)piperazine;hydrochloride
CID 171193942
(3R)-3-(3-methoxy-4-phenylmethoxyphenyl)morpholine
CID 171192902
(3S)-3-(3-methoxyphenyl)morpholine
CID 42183281
(3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)morpholine;hydrochloride
CID 171193308
(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
CID 93068855
3-(3-bromophenyl)morpholine;hydrochloride
CID 122156777
3-(3-piperidin-4-ylphenyl)morpholine
CID 116988949
methyl (2S,5R)-5-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxylate
CID 59468954
5-phenylmethoxy-2-[(2R)-pyrrolidin-2-yl]phenol
CID 171196134
5-phenylmethoxy-2-[(2S)-pyrrolidin-2-yl]phenol
CID 171196544
2-morpholin-3-yl-N-[[4-(phenoxymethyl)phenyl]methyl]cyclopentan-1-amine
CID 120916161

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-phenylmethoxyphenyl)morpholine?
The IUPAC name of (3S)-3-(3-phenylmethoxyphenyl)morpholine (CID 171193333) is (3S)-3-(3-phenylmethoxyphenyl)morpholine.
What is the SMILES notation for (3S)-3-(3-phenylmethoxyphenyl)morpholine?
The canonical SMILES for (3S)-3-(3-phenylmethoxyphenyl)morpholine is c1ccc(COc2cccc([C@H]3COCCN3)c2)cc1.
What is the InChIKey of (3S)-3-(3-phenylmethoxyphenyl)morpholine?
The InChIKey is QBRCAZZHXDSZMS-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19NO2/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/t17-/m1/s1.
What are the key properties of (3S)-3-(3-phenylmethoxyphenyl)morpholine?
(3S)-3-(3-phenylmethoxyphenyl)morpholine has a molecular weight of 269.34 g/mol, XLogP of 2.93, 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 is sourced from PubChem (CID 171193333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).