(2S)-2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine

C19H27ClN4O — CID 124699693

IUPAC(2S)-2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
SMILESCn1cncc1CNC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1
InChIInChI=1S/C19H27ClN4O/c1-19(2)13-24(8-9-25-19)18(15-4-6-16(20)7-5-15)12-21-10-17-11-22-14-23(17)3/h4-7,11,14,18,21H,8-10,12-13H2,1-3H3/t18-/m1/s1
InChIKeyTWGVWGPASXTTKB-GOSISDBHSA-N
MW362.91 g/mol
LogP3.02
Rot. Bonds6

About (2S)-2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine

(2S)-2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine (PubChem CID 124699693) has the molecular formula C19H27ClN4O and a molecular weight of 362.91 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
PubChem CID124699693
Molecular FormulaC19H27ClN4O
Molecular Weight362.91 g/mol
Exact Mass362.19
IUPAC Name(2S)-2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
SMILESCn1cncc1CNC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1
InChIInChI=1S/C19H27ClN4O/c1-19(2)13-24(8-9-25-19)18(15-4-6-16(20)7-5-15)12-21-10-17-11-22-14-23(17)3/h4-7,11,14,18,21H,8-10,12-13H2,1-3H3/t18-/m1/s1
InChIKeyTWGVWGPASXTTKB-GOSISDBHSA-N
XLogP3.02
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine with MolForge

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Related Compounds

2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 119114926
N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine
CID 133287599
2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide
CID 110936786
N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119876547
4-[[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133287608
N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119876545
1-(4-chlorophenyl)-1-(2,2-dimethylmorpholin-4-yl)propan-2-amine
CID 55015046
2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-(2-methylprop-2-enyl)guanidine
CID 136859919
1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 63000910
1-butan-2-yl-2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide
CID 110936796
2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-phenylguanidine
CID 110936795
1-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111407150

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of (2S)-2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine (CID 124699693) is (2S)-2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine is Cn1cncc1CNC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine?
The InChIKey is TWGVWGPASXTTKB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H27ClN4O/c1-19(2)13-24(8-9-25-19)18(15-4-6-16(20)7-5-15)12-21-10-17-11-22-14-23(17)3/h4-7,11,14,18,21H,8-10,12-13H2,1-3H3/t18-/m1/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine?
(2S)-2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine has a molecular weight of 362.91 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 124699693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).