methyl 4-[5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-yl]benzoate;hydrochloride

C21H22ClNO4 — CID 17332933

IUPACmethyl 4-[5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-yl]benzoate;hydrochloride
SMILESCOC(=O)c1ccc(-c2ccc(CNCc3ccc(OC)cc3)o2)cc1.Cl
InChIInChI=1S/C21H21NO4.ClH/c1-24-18-9-3-15(4-10-18)13-22-14-19-11-12-20(26-19)16-5-7-17(8-6-16)21(23)25-2;/h3-12,22H,13-14H2,1-2H3;1H
InChIKeyDYUCWDDOJAKVLG-UHFFFAOYSA-N
MW387.86 g/mol
LogP4.45
Rot. Bonds7

About methyl 4-[5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-yl]benzoate;hydrochloride

methyl 4-[5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-yl]benzoate;hydrochloride (PubChem CID 17332933) has the molecular formula C21H22ClNO4 and a molecular weight of 387.86 g/mol. Its IUPAC name is methyl 4-[5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-yl]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-[5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-yl]benzoate;hydrochloride
PubChem CID17332933
Molecular FormulaC21H22ClNO4
Molecular Weight387.86 g/mol
Exact Mass387.12
IUPAC Namemethyl 4-[5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-yl]benzoate;hydrochloride
SMILESCOC(=O)c1ccc(-c2ccc(CNCc3ccc(OC)cc3)o2)cc1.Cl
InChIInChI=1S/C21H21NO4.ClH/c1-24-18-9-3-15(4-10-18)13-22-14-19-11-12-20(26-19)16-5-7-17(8-6-16)21(23)25-2;/h3-12,22H,13-14H2,1-2H3;1H
InChIKeyDYUCWDDOJAKVLG-UHFFFAOYSA-N
XLogP4.45
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.86
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-yl]benzoate;hydrochloride with MolForge

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Related Compounds

methyl 4-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzoate;hydrochloride
CID 17332875
dimethyl 5-[5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-2-yl]benzene-1,3-dicarboxylate;hydrochloride
CID 17333468
methyl 4-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]benzoate;hydrochloride
CID 17332782
methyl 4-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]furan-2-yl]benzoate
CID 8636670
methyl 4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]benzoate;dihydrochloride
CID 17332913
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17333127
methyl 4-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoate
CID 4724267
methyl 4-[5-[(hexylamino)methyl]furan-2-yl]benzoate
CID 4724301
4-[5-[[(4-fluorophenyl)methylamino]methyl]furan-2-yl]benzoic acid;hydrochloride
CID 17056095
2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride
CID 17331908
dimethyl 5-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate
CID 4724929
N-[(5-ethylfuran-2-yl)methyl]-1-(4-methoxyphenyl)methanamine
CID 62347378

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-yl]benzoate;hydrochloride?
The IUPAC name of methyl 4-[5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-yl]benzoate;hydrochloride (CID 17332933) is methyl 4-[5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-yl]benzoate;hydrochloride.
What is the SMILES notation for methyl 4-[5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-yl]benzoate;hydrochloride?
The canonical SMILES for methyl 4-[5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-yl]benzoate;hydrochloride is COC(=O)c1ccc(-c2ccc(CNCc3ccc(OC)cc3)o2)cc1.Cl.
What is the InChIKey of methyl 4-[5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-yl]benzoate;hydrochloride?
The InChIKey is DYUCWDDOJAKVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4.ClH/c1-24-18-9-3-15(4-10-18)13-22-14-19-11-12-20(26-19)16-5-7-17(8-6-16)21(23)25-2;/h3-12,22H,13-14H2,1-2H3;1H.
What are the key properties of methyl 4-[5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-yl]benzoate;hydrochloride?
methyl 4-[5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-yl]benzoate;hydrochloride has a molecular weight of 387.86 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-yl]benzoate;hydrochloride is sourced from PubChem (CID 17332933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).