1-(2,4-difluoro-5-methylphenyl)-2-(furan-2-yl)-N-methylethanamine

C14H15F2NO — CID 105029138

IUPAC1-(2,4-difluoro-5-methylphenyl)-2-(furan-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccco1)c1cc(C)c(F)cc1F
InChIInChI=1S/C14H15F2NO/c1-9-6-11(13(16)8-12(9)15)14(17-2)7-10-4-3-5-18-10/h3-6,8,14,17H,7H2,1-2H3
InChIKeyWTCPCWICNUNBCR-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.37
Rot. Bonds4

About 1-(2,4-difluoro-5-methylphenyl)-2-(furan-2-yl)-N-methylethanamine

1-(2,4-difluoro-5-methylphenyl)-2-(furan-2-yl)-N-methylethanamine (PubChem CID 105029138) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-2-(furan-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-2-(furan-2-yl)-N-methylethanamine
PubChem CID105029138
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-2-(furan-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccco1)c1cc(C)c(F)cc1F
InChIInChI=1S/C14H15F2NO/c1-9-6-11(13(16)8-12(9)15)14(17-2)7-10-4-3-5-18-10/h3-6,8,14,17H,7H2,1-2H3
InChIKeyWTCPCWICNUNBCR-UHFFFAOYSA-N
XLogP3.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-2-yl)-N-methyl-1-(3-methyl-4-pyridinyl)ethanamine
CID 83182779
2-(2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 79723957
2-(5-chloro-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 103053283
[1-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)ethyl]hydrazine
CID 105201563
2-(4-bromothiophen-2-yl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 115847577
2-(5-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 115839081
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(furan-2-yl)-N-methylethanamine
CID 105177474
N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83175003
1-(2,4-difluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
CID 79723951
1-(2,4-difluoro-5-methylphenyl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 79723863
2-(4-bromo-2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 105037680
1-(2,4-difluoro-5-methylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849318

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-2-(furan-2-yl)-N-methylethanamine?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-2-(furan-2-yl)-N-methylethanamine (CID 105029138) is 1-(2,4-difluoro-5-methylphenyl)-2-(furan-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-2-(furan-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-2-(furan-2-yl)-N-methylethanamine is CNC(Cc1ccco1)c1cc(C)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-2-(furan-2-yl)-N-methylethanamine?
The InChIKey is WTCPCWICNUNBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO/c1-9-6-11(13(16)8-12(9)15)14(17-2)7-10-4-3-5-18-10/h3-6,8,14,17H,7H2,1-2H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-2-(furan-2-yl)-N-methylethanamine?
1-(2,4-difluoro-5-methylphenyl)-2-(furan-2-yl)-N-methylethanamine has a molecular weight of 251.28 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)-2-(furan-2-yl)-N-methylethanamine is sourced from PubChem (CID 105029138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).