3-chloro-2-[[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methyl]-N,N-dimethylaniline

C22H30ClN3O2 — CID 97060803

IUPAC3-chloro-2-[[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methyl]-N,N-dimethylaniline
SMILESCOc1ccc([C@@H](CNCc2c(Cl)cccc2N(C)C)N2CCOCC2)cc1
InChIInChI=1S/C22H30ClN3O2/c1-25(2)21-6-4-5-20(23)19(21)15-24-16-22(26-11-13-28-14-12-26)17-7-9-18(27-3)10-8-17/h4-10,22,24H,11-16H2,1-3H3/t22-/m1/s1
InChIKeyZAATXPJAGPAQNZ-JOCHJYFZSA-N
MW403.95 g/mol
LogP3.58
Rot. Bonds8

About 3-chloro-2-[[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methyl]-N,N-dimethylaniline

3-chloro-2-[[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methyl]-N,N-dimethylaniline (PubChem CID 97060803) has the molecular formula C22H30ClN3O2 and a molecular weight of 403.95 g/mol. Its IUPAC name is 3-chloro-2-[[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-chloro-2-[[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methyl]-N,N-dimethylaniline
PubChem CID97060803
Molecular FormulaC22H30ClN3O2
Molecular Weight403.95 g/mol
Exact Mass403.20
IUPAC Name3-chloro-2-[[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methyl]-N,N-dimethylaniline
SMILESCOc1ccc([C@@H](CNCc2c(Cl)cccc2N(C)C)N2CCOCC2)cc1
InChIInChI=1S/C22H30ClN3O2/c1-25(2)21-6-4-5-20(23)19(21)15-24-16-22(26-11-13-28-14-12-26)17-7-9-18(27-3)10-8-17/h4-10,22,24H,11-16H2,1-3H3/t22-/m1/s1
InChIKeyZAATXPJAGPAQNZ-JOCHJYFZSA-N
XLogP3.58
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.95
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-2-[[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methyl]-N,N-dimethylaniline with MolForge

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 60590041
N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 75854207
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 94822423
(2S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 32555677
2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 78809599
(2R)-2-(4-methoxyphenyl)-N-[(1-methylimidazol-4-yl)methyl]-2-morpholin-4-ylethanamine
CID 100675598
4-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)ethyl]morpholine
CID 112502616
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methylpentan-2-amine
CID 119164696
N'-(3-chloro-2-methylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835618
N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 47008151
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
N-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine
CID 120509260

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methyl]-N,N-dimethylaniline?
The IUPAC name of 3-chloro-2-[[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methyl]-N,N-dimethylaniline (CID 97060803) is 3-chloro-2-[[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-chloro-2-[[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-chloro-2-[[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methyl]-N,N-dimethylaniline is COc1ccc([C@@H](CNCc2c(Cl)cccc2N(C)C)N2CCOCC2)cc1.
What is the InChIKey of 3-chloro-2-[[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methyl]-N,N-dimethylaniline?
The InChIKey is ZAATXPJAGPAQNZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H30ClN3O2/c1-25(2)21-6-4-5-20(23)19(21)15-24-16-22(26-11-13-28-14-12-26)17-7-9-18(27-3)10-8-17/h4-10,22,24H,11-16H2,1-3H3/t22-/m1/s1.
What are the key properties of 3-chloro-2-[[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methyl]-N,N-dimethylaniline?
3-chloro-2-[[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methyl]-N,N-dimethylaniline has a molecular weight of 403.95 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 97060803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).