2-(1-benzofuran-5-yl)-2-fluoro-N-methylpentan-1-amine

C14H18FNO — CID 168924156

IUPAC2-(1-benzofuran-5-yl)-2-fluoro-N-methylpentan-1-amine
SMILESCCCC(F)(CNC)c1ccc2occc2c1
InChIInChI=1S/C14H18FNO/c1-3-7-14(15,10-16-2)12-4-5-13-11(9-12)6-8-17-13/h4-6,8-9,16H,3,7,10H2,1-2H3
InChIKeyKQNDCBGGKFOHPE-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.62
Rot. Bonds5

About 2-(1-benzofuran-5-yl)-2-fluoro-N-methylpentan-1-amine

2-(1-benzofuran-5-yl)-2-fluoro-N-methylpentan-1-amine (PubChem CID 168924156) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-(1-benzofuran-5-yl)-2-fluoro-N-methylpentan-1-amine.

Molecular Properties

Compound Name2-(1-benzofuran-5-yl)-2-fluoro-N-methylpentan-1-amine
PubChem CID168924156
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name2-(1-benzofuran-5-yl)-2-fluoro-N-methylpentan-1-amine
SMILESCCCC(F)(CNC)c1ccc2occc2c1
InChIInChI=1S/C14H18FNO/c1-3-7-14(15,10-16-2)12-4-5-13-11(9-12)6-8-17-13/h4-6,8-9,16H,3,7,10H2,1-2H3
InChIKeyKQNDCBGGKFOHPE-UHFFFAOYSA-N
XLogP3.62
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzofuran-5-yl)-2,3,3,3-tetrafluoro-N-methylpropan-1-amine
CID 168924203
3-(1-benzofuran-5-yl)-3-fluoro-N-methylpentan-2-amine
CID 163640119
2-(1-benzofuran-5-yl)-N-ethyl-2-methylpentan-1-amine;ruthenium(1+)
CID 168924316
3-(1-benzofuran-5-yl)-N-ethyl-3-methylhexan-2-amine
CID 166892377
3-(1-benzofuran-5-yl)-4,4,4-trifluoro-N,3-dimethylbutan-2-amine
CID 166892409
3-(1-benzofuran-5-yl)-2-(methylamino)heptan-3-ol;2-(1-benzofuran-5-yl)-1,1,1-trichloro-3-(methylamino)butan-2-ol;fluoromethane
CID 168926057
3-(1-benzofuran-5-yl)-2-(ethylamino)heptane-1,3-diol
CID 163422710
1-benzofuran-5-yl(triethyl)silane
CID 166440885
2-(1-benzofuran-5-yl)-N-methylethanamine
CID 168924293
3-(1-benzofuran-5-yl)-4,4,4-trichloro-2-(ethylamino)-3-methylbutan-1-ol
CID 166892759
3-(1-benzofuran-5-yl)-4-chloro-3-methyl-2-(methylamino)butan-1-ol
CID 166892730
2-(1-benzofuran-5-yl)-1,1-dichloro-3-(methylamino)butan-2-ol
CID 166892525

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-5-yl)-2-fluoro-N-methylpentan-1-amine?
The IUPAC name of 2-(1-benzofuran-5-yl)-2-fluoro-N-methylpentan-1-amine (CID 168924156) is 2-(1-benzofuran-5-yl)-2-fluoro-N-methylpentan-1-amine.
What is the SMILES notation for 2-(1-benzofuran-5-yl)-2-fluoro-N-methylpentan-1-amine?
The canonical SMILES for 2-(1-benzofuran-5-yl)-2-fluoro-N-methylpentan-1-amine is CCCC(F)(CNC)c1ccc2occc2c1.
What is the InChIKey of 2-(1-benzofuran-5-yl)-2-fluoro-N-methylpentan-1-amine?
The InChIKey is KQNDCBGGKFOHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-3-7-14(15,10-16-2)12-4-5-13-11(9-12)6-8-17-13/h4-6,8-9,16H,3,7,10H2,1-2H3.
What are the key properties of 2-(1-benzofuran-5-yl)-2-fluoro-N-methylpentan-1-amine?
2-(1-benzofuran-5-yl)-2-fluoro-N-methylpentan-1-amine has a molecular weight of 235.30 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-5-yl)-2-fluoro-N-methylpentan-1-amine is sourced from PubChem (CID 168924156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).