N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-pyridin-2-yloxypropan-1-amine

C20H21ClN2O3 — CID 66526303

IUPACN-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-pyridin-2-yloxypropan-1-amine
SMILESCOc1ccc(-c2ccc(CNCCCOc3ccccn3)o2)cc1Cl
InChIInChI=1S/C20H21ClN2O3/c1-24-19-8-6-15(13-17(19)21)18-9-7-16(26-18)14-22-10-4-12-25-20-5-2-3-11-23-20/h2-3,5-9,11,13,22H,4,10,12,14H2,1H3
InChIKeyOYVISEMECWNSBE-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.56
Rot. Bonds9

About N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-pyridin-2-yloxypropan-1-amine

N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-pyridin-2-yloxypropan-1-amine (PubChem CID 66526303) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-pyridin-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-pyridin-2-yloxypropan-1-amine
PubChem CID66526303
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC NameN-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-pyridin-2-yloxypropan-1-amine
SMILESCOc1ccc(-c2ccc(CNCCCOc3ccccn3)o2)cc1Cl
InChIInChI=1S/C20H21ClN2O3/c1-24-19-8-6-15(13-17(19)21)18-9-7-16(26-18)14-22-10-4-12-25-20-5-2-3-11-23-20/h2-3,5-9,11,13,22H,4,10,12,14H2,1H3
InChIKeyOYVISEMECWNSBE-UHFFFAOYSA-N
XLogP4.56
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.56
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

N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526053
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine
CID 4724475
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207432
2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol
CID 17214309
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-phenylethanamine
CID 4725324
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17156415
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 4724521
N-[(5-chloro-2-methoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526415
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 4724470
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526310
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17333054
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-pyridin-3-ylmethanamine;dihydrochloride
CID 163327985

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-pyridin-2-yloxypropan-1-amine?
The IUPAC name of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-pyridin-2-yloxypropan-1-amine (CID 66526303) is N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-pyridin-2-yloxypropan-1-amine.
What is the SMILES notation for N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-pyridin-2-yloxypropan-1-amine?
The canonical SMILES for N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-pyridin-2-yloxypropan-1-amine is COc1ccc(-c2ccc(CNCCCOc3ccccn3)o2)cc1Cl.
What is the InChIKey of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-pyridin-2-yloxypropan-1-amine?
The InChIKey is OYVISEMECWNSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-24-19-8-6-15(13-17(19)21)18-9-7-16(26-18)14-22-10-4-12-25-20-5-2-3-11-23-20/h2-3,5-9,11,13,22H,4,10,12,14H2,1H3.
What are the key properties of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-pyridin-2-yloxypropan-1-amine?
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-pyridin-2-yloxypropan-1-amine has a molecular weight of 372.85 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-pyridin-2-yloxypropan-1-amine is sourced from PubChem (CID 66526303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).