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

C14H15ClFNO2 — CID 62450823

IUPAC1-[5-[(2-chloro-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
SMILESCNCc1oc(COc2ccc(F)cc2Cl)cc1C
InChIInChI=1S/C14H15ClFNO2/c1-9-5-11(19-14(9)7-17-2)8-18-13-4-3-10(16)6-12(13)15/h3-6,17H,7-8H2,1-2H3
InChIKeyYMWLNBMQVKRAII-UHFFFAOYSA-N
MW283.73 g/mol
LogP3.68
Rot. Bonds5

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

1-[5-[(2-chloro-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine (PubChem CID 62450823) has the molecular formula C14H15ClFNO2 and a molecular weight of 283.73 g/mol. Its IUPAC name is 1-[5-[(2-chloro-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(2-chloro-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
PubChem CID62450823
Molecular FormulaC14H15ClFNO2
Molecular Weight283.73 g/mol
Exact Mass283.08
IUPAC Name1-[5-[(2-chloro-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
SMILESCNCc1oc(COc2ccc(F)cc2Cl)cc1C
InChIInChI=1S/C14H15ClFNO2/c1-9-5-11(19-14(9)7-17-2)8-18-13-4-3-10(16)6-12(13)15/h3-6,17H,7-8H2,1-2H3
InChIKeyYMWLNBMQVKRAII-UHFFFAOYSA-N
XLogP3.68
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(2,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 63272857
N-methyl-1-[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methanamine
CID 62452733
1-[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 62451768
1-[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 55077027
1-[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 115402794
N-[[5-[(2-chloro-4-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 63495955
N-[[5-[(5-fluoro-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 102986645
N-[[5-[(2,4-dichlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62460285
1-[5-[(5-fluoro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 102980972
1-[5-(ethoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62445061
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 63497884
N-methyl-1-[3-methyl-5-[(4-propylphenoxy)methyl]furan-2-yl]methanamine
CID 62548081

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-chloro-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(2-chloro-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine (CID 62450823) is 1-[5-[(2-chloro-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(2-chloro-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(2-chloro-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine is CNCc1oc(COc2ccc(F)cc2Cl)cc1C.
What is the InChIKey of 1-[5-[(2-chloro-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine?
The InChIKey is YMWLNBMQVKRAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO2/c1-9-5-11(19-14(9)7-17-2)8-18-13-4-3-10(16)6-12(13)15/h3-6,17H,7-8H2,1-2H3.
What are the key properties of 1-[5-[(2-chloro-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine?
1-[5-[(2-chloro-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine has a molecular weight of 283.73 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-chloro-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62450823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).