N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine

C21H30N2O3 — CID 119125278

IUPACN-[[4-(2-methoxyethoxy)phenyl]methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine
SMILESCOCCOc1ccc(CNCC(c2ccc(C)o2)N2CCCC2)cc1
InChIInChI=1S/C21H30N2O3/c1-17-5-10-21(26-17)20(23-11-3-4-12-23)16-22-15-18-6-8-19(9-7-18)25-14-13-24-2/h5-10,20,22H,3-4,11-16H2,1-2H3
InChIKeyBYURWNCRDTXYCC-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.54
Rot. Bonds10

About N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine

N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine (PubChem CID 119125278) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[[4-(2-methoxyethoxy)phenyl]methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine
PubChem CID119125278
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC NameN-[[4-(2-methoxyethoxy)phenyl]methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine
SMILESCOCCOc1ccc(CNCC(c2ccc(C)o2)N2CCCC2)cc1
InChIInChI=1S/C21H30N2O3/c1-17-5-10-21(26-17)20(23-11-3-4-12-23)16-22-15-18-6-8-19(9-7-18)25-14-13-24-2/h5-10,20,22H,3-4,11-16H2,1-2H3
InChIKeyBYURWNCRDTXYCC-UHFFFAOYSA-N
XLogP3.54
TPSA46.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-methylfuran-2-yl)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine
CID 119107145
methyl 4-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]benzoate
CID 120665849
2-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 119107148
N-[(2-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine
CID 119107159
2-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 119107168
N-[(4-ethoxyphenyl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 78805253
4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26834639
N-[(3-fluoro-4-methylphenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine
CID 119126597
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylguanidine
CID 111304151
2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119873717
2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 26834661
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 26834553

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine (CID 119125278) is N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine is COCCOc1ccc(CNCC(c2ccc(C)o2)N2CCCC2)cc1.
What is the InChIKey of N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is BYURWNCRDTXYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-17-5-10-21(26-17)20(23-11-3-4-12-23)16-22-15-18-6-8-19(9-7-18)25-14-13-24-2/h5-10,20,22H,3-4,11-16H2,1-2H3.
What are the key properties of N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine?
N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 358.48 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 119125278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).