2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride

C20H22ClNO2 — CID 17331908

IUPAC2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride
SMILESCOc1ccc(CCNCc2ccc(-c3ccccc3)o2)cc1.Cl
InChIInChI=1S/C20H21NO2.ClH/c1-22-18-9-7-16(8-10-18)13-14-21-15-19-11-12-20(23-19)17-5-3-2-4-6-17;/h2-12,21H,13-15H2,1H3;1H
InChIKeyXCOQZORSMQHCSX-UHFFFAOYSA-N
MW343.85 g/mol
LogP4.71
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride

2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride (PubChem CID 17331908) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride
PubChem CID17331908
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride
SMILESCOc1ccc(CCNCc2ccc(-c3ccccc3)o2)cc1.Cl
InChIInChI=1S/C20H21NO2.ClH/c1-22-18-9-7-16(8-10-18)13-14-21-15-19-11-12-20(23-19)17-5-3-2-4-6-17;/h2-12,21H,13-15H2,1H3;1H
InChIKeyXCOQZORSMQHCSX-UHFFFAOYSA-N
XLogP4.71
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-methoxyphenyl)ethanamine;hydrochloride
CID 17332138
dimethyl 5-[5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-2-yl]benzene-1,3-dicarboxylate;hydrochloride
CID 17333468
N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 17057150
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-phenylethanamine
CID 4725324
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride
CID 17332170
N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
CID 4725254
methyl 4-[5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-yl]benzoate;hydrochloride
CID 17332933
N-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 29276863
N',N'-dimethyl-N-[(5-phenylfuran-2-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 171700325
methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate
CID 43219084
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine
CID 119123049
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride
CID 17208659

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride (CID 17331908) is 2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride is COc1ccc(CCNCc2ccc(-c3ccccc3)o2)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride?
The InChIKey is XCOQZORSMQHCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2.ClH/c1-22-18-9-7-16(8-10-18)13-14-21-15-19-11-12-20(23-19)17-5-3-2-4-6-17;/h2-12,21H,13-15H2,1H3;1H.
What are the key properties of 2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride?
2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride has a molecular weight of 343.85 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17331908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).