1-(5-chlorofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine

C13H13ClFNO — CID 106692700

IUPAC1-(5-chlorofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(F)c1)c1ccc(Cl)o1
InChIInChI=1S/C13H13ClFNO/c1-8-5-9(7-10(15)6-8)13(16-2)11-3-4-12(14)17-11/h3-7,13,16H,1-2H3
InChIKeyABQTZIFUHBWGRI-UHFFFAOYSA-N
MW253.70 g/mol
LogP3.69
Rot. Bonds3

About 1-(5-chlorofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine

1-(5-chlorofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine (PubChem CID 106692700) has the molecular formula C13H13ClFNO and a molecular weight of 253.70 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
PubChem CID106692700
Molecular FormulaC13H13ClFNO
Molecular Weight253.70 g/mol
Exact Mass253.07
IUPAC Name1-(5-chlorofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(F)c1)c1ccc(Cl)o1
InChIInChI=1S/C13H13ClFNO/c1-8-5-9(7-10(15)6-8)13(16-2)11-3-4-12(14)17-11/h3-7,13,16H,1-2H3
InChIKeyABQTZIFUHBWGRI-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-5-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 79704486
1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114730411
1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79704481
1-(3-chloro-4-iodophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 103215908
1-(5-chlorofuran-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 106691917
1-(4-chloro-2,5-difluorophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016434
1-(5-bromo-2-methylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016620
1-(4-bromo-2-fluorophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114906456
1-(5-chlorofuran-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 106684105
1-(3,5-difluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114728139
1-(5-chlorofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 106691445
1-(3-chloro-5-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 81323793

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chlorofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine (CID 106692700) is 1-(5-chlorofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine is CNC(c1cc(C)cc(F)c1)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine?
The InChIKey is ABQTZIFUHBWGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO/c1-8-5-9(7-10(15)6-8)13(16-2)11-3-4-12(14)17-11/h3-7,13,16H,1-2H3.
What are the key properties of 1-(5-chlorofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine?
1-(5-chlorofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine has a molecular weight of 253.70 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 106692700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).