1-[3-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]-N-methylmethanamine

C13H13ClFNO — CID 106888982

IUPAC1-[3-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1-c1cc(C)c(F)cc1Cl
InChIInChI=1S/C13H13ClFNO/c1-8-5-10(11(14)6-12(8)15)9-3-4-17-13(9)7-16-2/h3-6,16H,7H2,1-2H3
InChIKeyCEZCSKGQDUDFEV-UHFFFAOYSA-N
MW253.70 g/mol
LogP3.77
Rot. Bonds3

About 1-[3-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]-N-methylmethanamine

1-[3-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]-N-methylmethanamine (PubChem CID 106888982) has the molecular formula C13H13ClFNO and a molecular weight of 253.70 g/mol. Its IUPAC name is 1-[3-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]-N-methylmethanamine
PubChem CID106888982
Molecular FormulaC13H13ClFNO
Molecular Weight253.70 g/mol
Exact Mass253.07
IUPAC Name1-[3-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1-c1cc(C)c(F)cc1Cl
InChIInChI=1S/C13H13ClFNO/c1-8-5-10(11(14)6-12(8)15)9-3-4-17-13(9)7-16-2/h3-6,16H,7H2,1-2H3
InChIKeyCEZCSKGQDUDFEV-UHFFFAOYSA-N
XLogP3.77
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.70
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylmethanamine
CID 106886849
1-[3-(3-fluoro-4-methylphenyl)furan-2-yl]-N-methylmethanamine
CID 106887791
N-[[3-(2,4-difluoro-5-methylphenyl)furan-2-yl]methyl]ethanamine
CID 106888969
[3-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methanamine
CID 106889012
1-[3-(2,3-dimethylphenyl)furan-2-yl]-N-methylmethanamine
CID 106887032
1-[3-(3-chlorothiophen-2-yl)furan-2-yl]-N-methylmethanamine
CID 107360598
1-[4-(2-chloro-4,5-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 115484339
1-[5-chloro-2-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine
CID 107476910
1-[3-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 106888684
N-[[3-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]propan-1-amine
CID 106887842
N-methyl-1-[3-[4-(trifluoromethyl)phenyl]furan-2-yl]methanamine
CID 106886792
N-methyl-1-(3-phenylfuran-2-yl)methanamine
CID 106886773

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]-N-methylmethanamine (CID 106888982) is 1-[3-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]-N-methylmethanamine is CNCc1occc1-c1cc(C)c(F)cc1Cl.
What is the InChIKey of 1-[3-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]-N-methylmethanamine?
The InChIKey is CEZCSKGQDUDFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO/c1-8-5-10(11(14)6-12(8)15)9-3-4-17-13(9)7-16-2/h3-6,16H,7H2,1-2H3.
What are the key properties of 1-[3-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]-N-methylmethanamine?
1-[3-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]-N-methylmethanamine has a molecular weight of 253.70 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 106888982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).