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

C13H14FNO — CID 106887791

IUPAC1-[3-(3-fluoro-4-methylphenyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1-c1ccc(C)c(F)c1
InChIInChI=1S/C13H14FNO/c1-9-3-4-10(7-12(9)14)11-5-6-16-13(11)8-15-2/h3-7,15H,8H2,1-2H3
InChIKeyKKCDWMNYARBAOX-UHFFFAOYSA-N
MW219.26 g/mol
LogP3.11
Rot. Bonds3

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

1-[3-(3-fluoro-4-methylphenyl)furan-2-yl]-N-methylmethanamine (PubChem CID 106887791) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-[3-(3-fluoro-4-methylphenyl)furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3-fluoro-4-methylphenyl)furan-2-yl]-N-methylmethanamine
PubChem CID106887791
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name1-[3-(3-fluoro-4-methylphenyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1-c1ccc(C)c(F)c1
InChIInChI=1S/C13H14FNO/c1-9-3-4-10(7-12(9)14)11-5-6-16-13(11)8-15-2/h3-7,15H,8H2,1-2H3
InChIKeyKKCDWMNYARBAOX-UHFFFAOYSA-N
XLogP3.11
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 53.11
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-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]-N-methylmethanamine
CID 106888982
N-methyl-1-[3-[4-(trifluoromethyl)phenyl]furan-2-yl]methanamine
CID 106886792
N-methyl-1-(3-phenylfuran-2-yl)methanamine
CID 106886773
1-[3-(3-bromophenyl)furan-2-yl]-N-methylmethanamine
CID 106887821
1-[3-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 106888684
1-[5-(3-fluoro-4-methylphenyl)-4-methylthiophen-2-yl]-N-methylmethanamine
CID 114997444
N-[[3-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 107289722
1-[3-(2,3-dimethylphenyl)furan-2-yl]-N-methylmethanamine
CID 106887032
N-methyl-1-[3-(4-phenoxyphenyl)furan-2-yl]methanamine
CID 106888567
N-[[3-(2,4-difluoro-5-methylphenyl)furan-2-yl]methyl]ethanamine
CID 106888969
1-[4-(2,5-dimethylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 61033370

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoro-4-methylphenyl)furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3-fluoro-4-methylphenyl)furan-2-yl]-N-methylmethanamine (CID 106887791) is 1-[3-(3-fluoro-4-methylphenyl)furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3-fluoro-4-methylphenyl)furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3-fluoro-4-methylphenyl)furan-2-yl]-N-methylmethanamine is CNCc1occc1-c1ccc(C)c(F)c1.
What is the InChIKey of 1-[3-(3-fluoro-4-methylphenyl)furan-2-yl]-N-methylmethanamine?
The InChIKey is KKCDWMNYARBAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-9-3-4-10(7-12(9)14)11-5-6-16-13(11)8-15-2/h3-7,15H,8H2,1-2H3.
What are the key properties of 1-[3-(3-fluoro-4-methylphenyl)furan-2-yl]-N-methylmethanamine?
1-[3-(3-fluoro-4-methylphenyl)furan-2-yl]-N-methylmethanamine has a molecular weight of 219.26 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoro-4-methylphenyl)furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 106887791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).