N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine

C21H22ClNO3 — CID 17207432

IUPACN-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccc(-c2ccc(CNCCc3ccccc3OC)o2)cc1Cl
InChIInChI=1S/C21H22ClNO3/c1-24-19-6-4-3-5-15(19)11-12-23-14-17-8-10-20(26-17)16-7-9-21(25-2)18(22)13-16/h3-10,13,23H,11-12,14H2,1-2H3
InChIKeyPOEPLZAYHGMAOC-UHFFFAOYSA-N
MW371.86 g/mol
LogP4.95
Rot. Bonds8

About N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine

N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine (PubChem CID 17207432) has the molecular formula C21H22ClNO3 and a molecular weight of 371.86 g/mol. Its IUPAC name is N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
PubChem CID17207432
Molecular FormulaC21H22ClNO3
Molecular Weight371.86 g/mol
Exact Mass371.13
IUPAC NameN-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccc(-c2ccc(CNCCc3ccccc3OC)o2)cc1Cl
InChIInChI=1S/C21H22ClNO3/c1-24-19-6-4-3-5-15(19)11-12-23-14-17-8-10-20(26-17)16-7-9-21(25-2)18(22)13-16/h3-10,13,23H,11-12,14H2,1-2H3
InChIKeyPOEPLZAYHGMAOC-UHFFFAOYSA-N
XLogP4.95
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-phenylethanamine
CID 4725324
N-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207474
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 4724521
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine
CID 4724475
2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol
CID 17214309
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 4724470
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]-4-phenylbutan-2-amine
CID 17211376
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526303
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211375
2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride
CID 17333046
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]-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine (CID 17207432) is N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine is COc1ccc(-c2ccc(CNCCc3ccccc3OC)o2)cc1Cl.
What is the InChIKey of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine?
The InChIKey is POEPLZAYHGMAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO3/c1-24-19-6-4-3-5-15(19)11-12-23-14-17-8-10-20(26-17)16-7-9-21(25-2)18(22)13-16/h3-10,13,23H,11-12,14H2,1-2H3.
What are the key properties of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine?
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine has a molecular weight of 371.86 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 17207432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).