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

C24H29N3O2 — CID 119107145

IUPAC2-(5-methylfuran-2-yl)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine
SMILESCc1ccc(C(CNCc2ccc(OCc3ccncc3)cc2)N2CCCC2)o1
InChIInChI=1S/C24H29N3O2/c1-19-4-9-24(29-19)23(27-14-2-3-15-27)17-26-16-20-5-7-22(8-6-20)28-18-21-10-12-25-13-11-21/h4-13,23,26H,2-3,14-18H2,1H3
InChIKeyOHKAGVBFNQSVSX-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.49
Rot. Bonds9

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

2-(5-methylfuran-2-yl)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 119107145) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID119107145
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-(5-methylfuran-2-yl)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine
SMILESCc1ccc(C(CNCc2ccc(OCc3ccncc3)cc2)N2CCCC2)o1
InChIInChI=1S/C24H29N3O2/c1-19-4-9-24(29-19)23(27-14-2-3-15-27)17-26-16-20-5-7-22(8-6-20)28-18-21-10-12-25-13-11-21/h4-13,23,26H,2-3,14-18H2,1H3
InChIKeyOHKAGVBFNQSVSX-UHFFFAOYSA-N
XLogP4.49
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine
CID 119125278
2-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 119107148
2-(5-methylfuran-2-yl)-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine
CID 119107154
2-(5-methylfuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 119107168
N-[(2-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine
CID 119107159
N-[(4-ethoxyphenyl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 78805253
methyl 4-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]benzoate
CID 120665849
N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine
CID 23397058
1-[4-(morpholin-4-ylmethyl)phenyl]-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]methanamine
CID 78871470
2-(5-methylfuran-2-yl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 119107124
N-[(3-fluoro-4-methylphenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine
CID 119126597
2-methoxy-5-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenol
CID 47015161

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine (CID 119107145) is 2-(5-methylfuran-2-yl)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine is Cc1ccc(C(CNCc2ccc(OCc3ccncc3)cc2)N2CCCC2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is OHKAGVBFNQSVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-19-4-9-24(29-19)23(27-14-2-3-15-27)17-26-16-20-5-7-22(8-6-20)28-18-21-10-12-25-13-11-21/h4-13,23,26H,2-3,14-18H2,1H3.
What are the key properties of 2-(5-methylfuran-2-yl)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine?
2-(5-methylfuran-2-yl)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 391.52 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 119107145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).