N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(furan-2-yl)-N-(furan-2-ylmethyl)methanamine

C23H21ClN2O3 — CID 60523516

IUPACN-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(furan-2-yl)-N-(furan-2-ylmethyl)methanamine
SMILESClc1ccc(OCc2cccnc2)c(CN(Cc2ccco2)Cc2ccco2)c1
InChIInChI=1S/C23H21ClN2O3/c24-20-7-8-23(29-17-18-4-1-9-25-13-18)19(12-20)14-26(15-21-5-2-10-27-21)16-22-6-3-11-28-22/h1-13H,14-17H2
InChIKeyRRWPIERMIHFFRF-UHFFFAOYSA-N
MW408.89 g/mol
LogP5.70
Rot. Bonds9

About N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(furan-2-yl)-N-(furan-2-ylmethyl)methanamine

N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(furan-2-yl)-N-(furan-2-ylmethyl)methanamine (PubChem CID 60523516) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(furan-2-yl)-N-(furan-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(furan-2-yl)-N-(furan-2-ylmethyl)methanamine
PubChem CID60523516
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC NameN-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(furan-2-yl)-N-(furan-2-ylmethyl)methanamine
SMILESClc1ccc(OCc2cccnc2)c(CN(Cc2ccco2)Cc2ccco2)c1
InChIInChI=1S/C23H21ClN2O3/c24-20-7-8-23(29-17-18-4-1-9-25-13-18)19(12-20)14-26(15-21-5-2-10-27-21)16-22-6-3-11-28-22/h1-13H,14-17H2
InChIKeyRRWPIERMIHFFRF-UHFFFAOYSA-N
XLogP5.70
TPSA51.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.89
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(furan-2-yl)-N-(furan-2-ylmethyl)methanamine with MolForge

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Related Compounds

3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 39869127
2-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl-cyclopropylamino]ethanol
CID 110899734
N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 43275372
2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 99182792
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine;hydrochloride
CID 17331689
2,5-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 30668532
3-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-1-hydroxypiperidin-2-one
CID 155937771
(3R)-1-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-3-ol
CID 94528472
N-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine
CID 75399710
5,6-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 52558245
5-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-N-(2,6-difluorophenyl)furan-2-carboxamide
CID 15605379
3-[[4-chloro-2-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]methyl]pyridine
CID 86879280

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(furan-2-yl)-N-(furan-2-ylmethyl)methanamine?
The IUPAC name of N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(furan-2-yl)-N-(furan-2-ylmethyl)methanamine (CID 60523516) is N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(furan-2-yl)-N-(furan-2-ylmethyl)methanamine.
What is the SMILES notation for N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(furan-2-yl)-N-(furan-2-ylmethyl)methanamine?
The canonical SMILES for N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(furan-2-yl)-N-(furan-2-ylmethyl)methanamine is Clc1ccc(OCc2cccnc2)c(CN(Cc2ccco2)Cc2ccco2)c1.
What is the InChIKey of N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(furan-2-yl)-N-(furan-2-ylmethyl)methanamine?
The InChIKey is RRWPIERMIHFFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c24-20-7-8-23(29-17-18-4-1-9-25-13-18)19(12-20)14-26(15-21-5-2-10-27-21)16-22-6-3-11-28-22/h1-13H,14-17H2.
What are the key properties of N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(furan-2-yl)-N-(furan-2-ylmethyl)methanamine?
N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(furan-2-yl)-N-(furan-2-ylmethyl)methanamine has a molecular weight of 408.89 g/mol, XLogP of 5.70, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(furan-2-yl)-N-(furan-2-ylmethyl)methanamine is sourced from PubChem (CID 60523516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).