1-(3-fluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine

C13H14FNO — CID 115791802

IUPAC1-(3-fluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
SMILESCNC(c1cccc(F)c1)c1coc(C)c1
InChIInChI=1S/C13H14FNO/c1-9-6-11(8-16-9)13(15-2)10-4-3-5-12(14)7-10/h3-8,13,15H,1-2H3
InChIKeyCUWONZCYHNBXTL-UHFFFAOYSA-N
MW219.26 g/mol
LogP3.04
Rot. Bonds3

About 1-(3-fluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine

1-(3-fluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine (PubChem CID 115791802) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
PubChem CID115791802
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name1-(3-fluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
SMILESCNC(c1cccc(F)c1)c1coc(C)c1
InChIInChI=1S/C13H14FNO/c1-9-6-11(8-16-9)13(15-2)10-4-3-5-12(14)7-10/h3-8,13,15H,1-2H3
InChIKeyCUWONZCYHNBXTL-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylphenyl)methanamine
CID 115789821
1-(3,5-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 115851517
N-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 115850612
N-methyl-1-(5-methylfuran-3-yl)-1-phenylmethanamine
CID 114819899
1-(2,6-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 115859709
1-(3-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43482464
1-(3-bromofuran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 63941458
1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989689
4-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline
CID 105092995
1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55085138
1-(3-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 60818375
1-(2-fluoro-4-methylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 115791781

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine (CID 115791802) is 1-(3-fluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine is CNC(c1cccc(F)c1)c1coc(C)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
The InChIKey is CUWONZCYHNBXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-9-6-11(8-16-9)13(15-2)10-4-3-5-12(14)7-10/h3-8,13,15H,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
1-(3-fluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine has a molecular weight of 219.26 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine is sourced from PubChem (CID 115791802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).