N-[[5-[(4-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine

C16H20ClNO2 — CID 65125800

IUPACN-[[5-[(4-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COCc2ccc(Cl)cc2)oc1C
InChIInChI=1S/C16H20ClNO2/c1-3-18-9-14-8-16(20-12(14)2)11-19-10-13-4-6-15(17)7-5-13/h4-8,18H,3,9-11H2,1-2H3
InChIKeyNYQIMVOLHHCWJN-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.07
Rot. Bonds7

About N-[[5-[(4-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine

N-[[5-[(4-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine (PubChem CID 65125800) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is N-[[5-[(4-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(4-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
PubChem CID65125800
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC NameN-[[5-[(4-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COCc2ccc(Cl)cc2)oc1C
InChIInChI=1S/C16H20ClNO2/c1-3-18-9-14-8-16(20-12(14)2)11-19-10-13-4-6-15(17)7-5-13/h4-8,18H,3,9-11H2,1-2H3
InChIKeyNYQIMVOLHHCWJN-UHFFFAOYSA-N
XLogP4.07
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine
CID 62455820
N-[[5-(cyclopropylmethoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine
CID 62457249
N-[[2-methyl-5-(3-methylbutoxymethyl)furan-3-yl]methyl]ethanamine
CID 55077940
N-[[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 103406053
N-[[4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 62445515
N-[[2-methyl-5-(phenylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62444645
N-[[5-[(3,5-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62453235
4-[(4-chlorophenyl)methoxymethyl]-5-methylfuran-2-carbohydrazide
CID 65130569
N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 63934953
N-[[5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62453218
N-[[5-[(4-bromo-3-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 65201154
N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 63496240

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(4-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine (CID 65125800) is N-[[5-[(4-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(4-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(4-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine is CCNCc1cc(COCc2ccc(Cl)cc2)oc1C.
What is the InChIKey of N-[[5-[(4-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine?
The InChIKey is NYQIMVOLHHCWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-3-18-9-14-8-16(20-12(14)2)11-19-10-13-4-6-15(17)7-5-13/h4-8,18H,3,9-11H2,1-2H3.
What are the key properties of N-[[5-[(4-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine?
N-[[5-[(4-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine has a molecular weight of 293.79 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine is sourced from PubChem (CID 65125800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).