N-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine

C16H20FNO — CID 81477159

IUPACN-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)oc1C)c1cccc(C)c1F
InChIInChI=1S/C16H20FNO/c1-5-18-16(14-9-11(3)19-12(14)4)13-8-6-7-10(2)15(13)17/h6-9,16,18H,5H2,1-4H3
InChIKeyUDOYSVHKYSOKEO-UHFFFAOYSA-N
MW261.34 g/mol
LogP4.04
Rot. Bonds4

About N-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine

N-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine (PubChem CID 81477159) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
PubChem CID81477159
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC NameN-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)oc1C)c1cccc(C)c1F
InChIInChI=1S/C16H20FNO/c1-5-18-16(14-9-11(3)19-12(14)4)13-8-6-7-10(2)15(13)17/h6-9,16,18H,5H2,1-4H3
InChIKeyUDOYSVHKYSOKEO-UHFFFAOYSA-N
XLogP4.04
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-3-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 107982004
N-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 106878270
N-[(4-bromo-2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81482342
(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477083
N-[(2-fluoro-4-methoxyphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81480508
N-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine
CID 81478017
N-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 115790326
N-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102842041
N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 115811950
N-[(2,5-dimethylfuran-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63047740
N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-2,5-dimethylphenyl)methyl]ethanamine
CID 105032873
N-[(2,5-dimethylfuran-3-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 105050768

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine (CID 81477159) is N-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine is CCNC(c1cc(C)oc1C)c1cccc(C)c1F.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine?
The InChIKey is UDOYSVHKYSOKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-5-18-16(14-9-11(3)19-12(14)4)13-8-6-7-10(2)15(13)17/h6-9,16,18H,5H2,1-4H3.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine?
N-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine has a molecular weight of 261.34 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 81477159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).