2-(3-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylethanamine

C24H33N3O2 — CID 60590030

IUPAC2-(3-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCOc1cccc(C(CNCc2ccc(N3CCOCC3)cc2)N2CCCC2)c1
InChIInChI=1S/C24H33N3O2/c1-28-23-6-4-5-21(17-23)24(27-11-2-3-12-27)19-25-18-20-7-9-22(10-8-20)26-13-15-29-16-14-26/h4-10,17,24-25H,2-3,11-16,18-19H2,1H3
InChIKeyHAGVVXWTRNDYDP-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.46
Rot. Bonds8

About 2-(3-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylethanamine

2-(3-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 60590030) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID60590030
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name2-(3-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCOc1cccc(C(CNCc2ccc(N3CCOCC3)cc2)N2CCCC2)c1
InChIInChI=1S/C24H33N3O2/c1-28-23-6-4-5-21(17-23)24(27-11-2-3-12-27)19-25-18-20-7-9-22(10-8-20)26-13-15-29-16-14-26/h4-10,17,24-25H,2-3,11-16,18-19H2,1H3
InChIKeyHAGVVXWTRNDYDP-UHFFFAOYSA-N
XLogP3.46
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 30732412
2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 55464306
3-[[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methyl]benzoic acid
CID 122030109
N'-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 18589221
N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 60590041
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835333
N-[(2,4-dimethylphenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 55378412
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835377
N-[(5-bromo-2-fluorophenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 55378168
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 39963625
2-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 44902868

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylethanamine (CID 60590030) is 2-(3-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylethanamine is COc1cccc(C(CNCc2ccc(N3CCOCC3)cc2)N2CCCC2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is HAGVVXWTRNDYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-28-23-6-4-5-21(17-23)24(27-11-2-3-12-27)19-25-18-20-7-9-22(10-8-20)26-13-15-29-16-14-26/h4-10,17,24-25H,2-3,11-16,18-19H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylethanamine?
2-(3-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 395.55 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 60590030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).