(2S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine

C23H31ClN2O4 — CID 32555677

IUPAC(2S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
SMILESCCOc1c(Cl)cc(CNC[C@H](c2ccc(OC)cc2)N2CCOCC2)cc1OC
InChIInChI=1S/C23H31ClN2O4/c1-4-30-23-20(24)13-17(14-22(23)28-3)15-25-16-21(26-9-11-29-12-10-26)18-5-7-19(27-2)8-6-18/h5-8,13-14,21,25H,4,9-12,15-16H2,1-3H3/t21-/m1/s1
InChIKeyBSRIMDAANLZALJ-OAQYLSRUSA-N
MW434.96 g/mol
LogP3.92
Rot. Bonds10

About (2S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine

(2S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine (PubChem CID 32555677) has the molecular formula C23H31ClN2O4 and a molecular weight of 434.96 g/mol. Its IUPAC name is (2S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name(2S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
PubChem CID32555677
Molecular FormulaC23H31ClN2O4
Molecular Weight434.96 g/mol
Exact Mass434.20
IUPAC Name(2S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
SMILESCCOc1c(Cl)cc(CNC[C@H](c2ccc(OC)cc2)N2CCOCC2)cc1OC
InChIInChI=1S/C23H31ClN2O4/c1-4-30-23-20(24)13-17(14-22(23)28-3)15-25-16-21(26-9-11-29-12-10-26)18-5-7-19(27-2)8-6-18/h5-8,13-14,21,25H,4,9-12,15-16H2,1-3H3/t21-/m1/s1
InChIKeyBSRIMDAANLZALJ-OAQYLSRUSA-N
XLogP3.92
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.96
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine with MolForge

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Related Compounds

N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 60590154
N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 60590041
3-chloro-5-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-propoxybenzamide
CID 43006626
3-chloro-2-[[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methyl]-N,N-dimethylaniline
CID 97060803
1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]propan-2-ol
CID 4717439
(2R)-2-(4-methoxyphenyl)-N-[(1-methylimidazol-4-yl)methyl]-2-morpholin-4-ylethanamine
CID 100675598
N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 75854207
2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 78809599
N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 47008151
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 94822423
2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine
CID 111021913
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine
CID 111202050

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine?
The IUPAC name of (2S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine (CID 32555677) is (2S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine.
What is the SMILES notation for (2S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine?
The canonical SMILES for (2S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine is CCOc1c(Cl)cc(CNC[C@H](c2ccc(OC)cc2)N2CCOCC2)cc1OC.
What is the InChIKey of (2S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine?
The InChIKey is BSRIMDAANLZALJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H31ClN2O4/c1-4-30-23-20(24)13-17(14-22(23)28-3)15-25-16-21(26-9-11-29-12-10-26)18-5-7-19(27-2)8-6-18/h5-8,13-14,21,25H,4,9-12,15-16H2,1-3H3/t21-/m1/s1.
What are the key properties of (2S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine?
(2S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine has a molecular weight of 434.96 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 32555677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).