N-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine

C14H16FNO — CID 81478017

IUPACN-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccco1)c1cccc(C)c1F
InChIInChI=1S/C14H16FNO/c1-3-16-14(12-8-5-9-17-12)11-7-4-6-10(2)13(11)15/h4-9,14,16H,3H2,1-2H3
InChIKeyOMIQQVPVKZKEFX-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.43
Rot. Bonds4

About N-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine

N-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine (PubChem CID 81478017) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine
PubChem CID81478017
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC NameN-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccco1)c1cccc(C)c1F
InChIInChI=1S/C14H16FNO/c1-3-16-14(12-8-5-9-17-12)11-7-4-6-10(2)13(11)15/h4-9,14,16H,3H2,1-2H3
InChIKeyOMIQQVPVKZKEFX-UHFFFAOYSA-N
XLogP3.43
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-2-fluorophenyl)-(furan-2-yl)methyl]ethanamine
CID 106645508
N-[(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 82808349
N-[(3-bromofuran-2-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 115861624
N-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]ethanamine
CID 43489925
N-[(2-bromo-3,4-difluorophenyl)-(furan-2-yl)methyl]ethanamine
CID 107539325
N-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 106878270
N-[furan-2-yl-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63185696
N-[(5-chloro-2-methylphenyl)-(furan-2-yl)methyl]ethanamine
CID 82883059
N-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81477159
N-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 115790326
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-methylpentan-1-amine
CID 114013619
N-[2,3-dihydro-1,4-benzodioxin-5-yl(furan-2-yl)methyl]ethanamine
CID 105146902

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine (CID 81478017) is N-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine is CCNC(c1ccco1)c1cccc(C)c1F.
What is the InChIKey of N-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine?
The InChIKey is OMIQQVPVKZKEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-3-16-14(12-8-5-9-17-12)11-7-4-6-10(2)13(11)15/h4-9,14,16H,3H2,1-2H3.
What are the key properties of N-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine?
N-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine has a molecular weight of 233.29 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine is sourced from PubChem (CID 81478017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).