2-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine

C18H26N4O3 — CID 119110866

IUPAC2-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine
SMILESCOc1ccc(C(CNCc2ncc[nH]2)N2CCOCC2)cc1OC
InChIInChI=1S/C18H26N4O3/c1-23-16-4-3-14(11-17(16)24-2)15(22-7-9-25-10-8-22)12-19-13-18-20-5-6-21-18/h3-6,11,15,19H,7-10,12-13H2,1-2H3,(H,20,21)
InChIKeyNMJNHSLTXVBQNY-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.59
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine

2-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine (PubChem CID 119110866) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine
PubChem CID119110866
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine
SMILESCOc1ccc(C(CNCc2ncc[nH]2)N2CCOCC2)cc1OC
InChIInChI=1S/C18H26N4O3/c1-23-16-4-3-14(11-17(16)24-2)15(22-7-9-25-10-8-22)12-19-13-18-20-5-6-21-18/h3-6,11,15,19H,7-10,12-13H2,1-2H3,(H,20,21)
InChIKeyNMJNHSLTXVBQNY-UHFFFAOYSA-N
XLogP1.59
TPSA71.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51200983
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 55382953
1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 64546221
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 110933783
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(1H-indol-3-yl)acetamide
CID 46517704
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 46525244
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 52536756
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-fluorophenyl)butanamide
CID 55924740
1-benzyl-3-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]urea
CID 47012803
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide
CID 95285110
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 25487273

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine (CID 119110866) is 2-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine is COc1ccc(C(CNCc2ncc[nH]2)N2CCOCC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine?
The InChIKey is NMJNHSLTXVBQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-23-16-4-3-14(11-17(16)24-2)15(22-7-9-25-10-8-22)12-19-13-18-20-5-6-21-18/h3-6,11,15,19H,7-10,12-13H2,1-2H3,(H,20,21).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine?
2-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine has a molecular weight of 346.43 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 119110866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).