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

C16H20ClNO2 — CID 62445515

IUPACN-[[4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1cc(COCc2ccccc2Cl)c(C)o1
InChIInChI=1S/C16H20ClNO2/c1-3-18-9-15-8-14(12(2)20-15)11-19-10-13-6-4-5-7-16(13)17/h4-8,18H,3,9-11H2,1-2H3
InChIKeyCCJXWTXFDMTYAH-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.07
Rot. Bonds7

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

N-[[4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine (PubChem CID 62445515) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is N-[[4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine
PubChem CID62445515
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC NameN-[[4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1cc(COCc2ccccc2Cl)c(C)o1
InChIInChI=1S/C16H20ClNO2/c1-3-18-9-15-8-14(12(2)20-15)11-19-10-13-6-4-5-7-16(13)17/h4-8,18H,3,9-11H2,1-2H3
InChIKeyCCJXWTXFDMTYAH-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-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 63934953
N-[[5-[(2-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62443396
N-[[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 62454234
4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-carbohydrazide
CID 63586474
N-[[5-[(4-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 65125800
N-[[5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62459784
N-[[4-[(2,3-dichlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 63490951
5-[[(2-chlorophenyl)methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 103232935
N-[[5-[(2-fluorophenyl)methoxymethyl]furan-2-yl]methyl]ethanamine
CID 63935555
N-[[5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62452838
N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 114342470
N-[[5-methyl-4-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62453613

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine (CID 62445515) is N-[[4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine is CCNCc1cc(COCc2ccccc2Cl)c(C)o1.
What is the InChIKey of N-[[4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine?
The InChIKey is CCJXWTXFDMTYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-3-18-9-15-8-14(12(2)20-15)11-19-10-13-6-4-5-7-16(13)17/h4-8,18H,3,9-11H2,1-2H3.
What are the key properties of N-[[4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine?
N-[[4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-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-[[4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 62445515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).