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

C19H24ClNO3 — CID 171193308

IUPAC(3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)morpholine;hydrochloride
SMILESCCOc1cc([C@H]2COCCN2)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C19H23NO3.ClH/c1-2-22-19-12-16(17-14-21-11-10-20-17)8-9-18(19)23-13-15-6-4-3-5-7-15;/h3-9,12,17,20H,2,10-11,13-14H2,1H3;1H/t17-;/m1./s1
InChIKeyVFQNNRWZWGUJOX-UNTBIKODSA-N
MW349.86 g/mol
LogP3.75
Rot. Bonds6

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

(3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)morpholine;hydrochloride (PubChem CID 171193308) has the molecular formula C19H24ClNO3 and a molecular weight of 349.86 g/mol. Its IUPAC name is (3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)morpholine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)morpholine;hydrochloride
PubChem CID171193308
Molecular FormulaC19H24ClNO3
Molecular Weight349.86 g/mol
Exact Mass349.14
IUPAC Name(3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)morpholine;hydrochloride
SMILESCCOc1cc([C@H]2COCCN2)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C19H23NO3.ClH/c1-2-22-19-12-16(17-14-21-11-10-20-17)8-9-18(19)23-13-15-6-4-3-5-7-15;/h3-9,12,17,20H,2,10-11,13-14H2,1H3;1H/t17-;/m1./s1
InChIKeyVFQNNRWZWGUJOX-UNTBIKODSA-N
XLogP3.75
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)morpholine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-(4-methoxy-3-phenylmethoxyphenyl)morpholine;hydrochloride
CID 171193382
(3R)-3-(3-methoxy-4-phenylmethoxyphenyl)morpholine
CID 171192902
(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)piperidine
CID 171195092
(3S)-3-(3-phenylmethoxyphenyl)morpholine;hydrochloride
CID 171193334
3-(4-ethoxy-3-fluorophenyl)morpholine
CID 82287553
(3S)-3-(3-phenylmethoxyphenyl)morpholine
CID 171193333
(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride
CID 171194691
(3R)-3-(3,4-dimethoxyphenyl)morpholine
CID 42183336
(2R)-2-(4-methoxy-3-phenylmethoxyphenyl)piperidine
CID 171195670
3-(3-ethyl-4-methoxyphenyl)morpholine
CID 82286598
2-(3,4-diethoxyphenyl)piperidine
CID 4544824
(3S)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171193072

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)morpholine;hydrochloride?
The IUPAC name of (3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)morpholine;hydrochloride (CID 171193308) is (3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)morpholine;hydrochloride.
What is the SMILES notation for (3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)morpholine;hydrochloride?
The canonical SMILES for (3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)morpholine;hydrochloride is CCOc1cc([C@H]2COCCN2)ccc1OCc1ccccc1.Cl.
What is the InChIKey of (3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)morpholine;hydrochloride?
The InChIKey is VFQNNRWZWGUJOX-UNTBIKODSA-N. The full InChI is InChI=1S/C19H23NO3.ClH/c1-2-22-19-12-16(17-14-21-11-10-20-17)8-9-18(19)23-13-15-6-4-3-5-7-15;/h3-9,12,17,20H,2,10-11,13-14H2,1H3;1H/t17-;/m1./s1.
What are the key properties of (3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)morpholine;hydrochloride?
(3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)morpholine;hydrochloride has a molecular weight of 349.86 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)morpholine;hydrochloride is sourced from PubChem (CID 171193308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).