1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine

C14H16ClNO2 — CID 55077027

IUPAC1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
SMILESCNCc1oc(COc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C14H16ClNO2/c1-10-7-13(18-14(10)8-16-2)9-17-12-5-3-11(15)4-6-12/h3-7,16H,8-9H2,1-2H3
InChIKeyPQRDACJFUDWPSW-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.54
Rot. Bonds5

About 1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine

1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine (PubChem CID 55077027) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
PubChem CID55077027
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
SMILESCNCc1oc(COc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C14H16ClNO2/c1-10-7-13(18-14(10)8-16-2)9-17-12-5-3-11(15)4-6-12/h3-7,16H,8-9H2,1-2H3
InChIKeyPQRDACJFUDWPSW-UHFFFAOYSA-N
XLogP3.54
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62453750
N-methyl-1-[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methanamine
CID 62548081
1-[5-[(2,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 63272857
1-[5-[(3-ethylphenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 62451776
N-methyl-1-[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methanamine
CID 62452733
1-[5-[(2-chloro-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 62450823
N-methyl-1-[3-methyl-5-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
CID 62454694
N-[[5-[(4-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62449858
N-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62449443
1-[5-(ethoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62445061
1-[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 62451768
N-[[5-[(4-chloro-3-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 63490596

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine (CID 55077027) is 1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine is CNCc1oc(COc2ccc(Cl)cc2)cc1C.
What is the InChIKey of 1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine?
The InChIKey is PQRDACJFUDWPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-10-7-13(18-14(10)8-16-2)9-17-12-5-3-11(15)4-6-12/h3-7,16H,8-9H2,1-2H3.
What are the key properties of 1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine?
1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine has a molecular weight of 265.74 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 55077027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).