methyl 5-[[2-aminoethyl(2-phenylethyl)amino]methyl]-2-methylfuran-3-carboxylate

C18H24N2O3 — CID 120912761

IUPACmethyl 5-[[2-aminoethyl(2-phenylethyl)amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(CCN)CCc2ccccc2)oc1C
InChIInChI=1S/C18H24N2O3/c1-14-17(18(21)22-2)12-16(23-14)13-20(11-9-19)10-8-15-6-4-3-5-7-15/h3-7,12H,8-11,13,19H2,1-2H3
InChIKeySWRZQHHKBZUMDO-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.38
Rot. Bonds8

About methyl 5-[[2-aminoethyl(2-phenylethyl)amino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[2-aminoethyl(2-phenylethyl)amino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 120912761) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is methyl 5-[[2-aminoethyl(2-phenylethyl)amino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-aminoethyl(2-phenylethyl)amino]methyl]-2-methylfuran-3-carboxylate
PubChem CID120912761
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Namemethyl 5-[[2-aminoethyl(2-phenylethyl)amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(CCN)CCc2ccccc2)oc1C
InChIInChI=1S/C18H24N2O3/c1-14-17(18(21)22-2)12-16(23-14)13-20(11-9-19)10-8-15-6-4-3-5-7-15/h3-7,12H,8-11,13,19H2,1-2H3
InChIKeySWRZQHHKBZUMDO-UHFFFAOYSA-N
XLogP2.38
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[2-aminoethyl(2-phenylethyl)amino]methyl]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

2-[[2-aminoethyl(2-phenylethyl)amino]methyl]-5-methoxypyran-4-one;hydrochloride
CID 120871851
methyl 5-[[(2-fluorobenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31711214
methyl 2-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furan-3-carboxylate
CID 78789914
methyl 5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 78807159
methyl 2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-carboxylate
CID 78790048
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
CID 120886169
methyl 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 78789892
methyl 5-[[3-(3-methoxyphenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34485199
methyl 2-methyl-5-[[methyl-[2-[(2-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate
CID 55462508
N'-(2-methoxyethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 115869763
methyl 5-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methylfuran-3-carboxylate
CID 43219136
methyl 5-[[[[benzyl(methyl)amino]-(ethylamino)methylidene]amino]methyl]-2-methylfuran-3-carboxylate;hydroiodide
CID 110951701

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-aminoethyl(2-phenylethyl)amino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[2-aminoethyl(2-phenylethyl)amino]methyl]-2-methylfuran-3-carboxylate (CID 120912761) is methyl 5-[[2-aminoethyl(2-phenylethyl)amino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[2-aminoethyl(2-phenylethyl)amino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[2-aminoethyl(2-phenylethyl)amino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CN(CCN)CCc2ccccc2)oc1C.
What is the InChIKey of methyl 5-[[2-aminoethyl(2-phenylethyl)amino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is SWRZQHHKBZUMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-14-17(18(21)22-2)12-16(23-14)13-20(11-9-19)10-8-15-6-4-3-5-7-15/h3-7,12H,8-11,13,19H2,1-2H3.
What are the key properties of methyl 5-[[2-aminoethyl(2-phenylethyl)amino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[2-aminoethyl(2-phenylethyl)amino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-aminoethyl(2-phenylethyl)amino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 120912761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).