1-(2,3-dihydrofuran-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine

C13H16FNO — CID 102651298

IUPAC1-(2,3-dihydrofuran-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(C1=CCCO1)c1ccc(C)c(F)c1
InChIInChI=1S/C13H16FNO/c1-9-5-6-10(8-11(9)14)13(15-2)12-4-3-7-16-12/h4-6,8,13,15H,3,7H2,1-2H3
InChIKeyHGDAJWAFHNZAKU-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.70
Rot. Bonds3

About 1-(2,3-dihydrofuran-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine

1-(2,3-dihydrofuran-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine (PubChem CID 102651298) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
PubChem CID102651298
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name1-(2,3-dihydrofuran-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(C1=CCCO1)c1ccc(C)c(F)c1
InChIInChI=1S/C13H16FNO/c1-9-5-6-10(8-11(9)14)13(15-2)12-4-3-7-16-12/h4-6,8,13,15H,3,7H2,1-2H3
InChIKeyHGDAJWAFHNZAKU-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652031
1-(2,3-dihydrofuran-5-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 102653596
N-[2,3-dihydrofuran-5-yl-(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 102651379
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 61027481
1-(2,3-dihydrofuran-5-yl)-1-(furan-3-yl)-N-methylmethanamine
CID 102651572
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 102652299
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 43484259
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102648818
[3,4-dihydro-2H-pyran-6-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 102649912
1-(5-bromothiophen-3-yl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652893
[(3-chloro-4-fluorophenyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine
CID 102654140
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62963780

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine (CID 102651298) is 1-(2,3-dihydrofuran-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine is CNC(C1=CCCO1)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
The InChIKey is HGDAJWAFHNZAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-9-5-6-10(8-11(9)14)13(15-2)12-4-3-7-16-12/h4-6,8,13,15H,3,7H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine?
1-(2,3-dihydrofuran-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine has a molecular weight of 221.27 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 102651298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).