2-cyclopropyl-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine

C16H22FNO — CID 83149361

IUPAC2-cyclopropyl-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(CC1Cc2cc(F)ccc2O1)C1CC1
InChIInChI=1S/C16H22FNO/c1-16(10-18-2,12-3-4-12)9-14-8-11-7-13(17)5-6-15(11)19-14/h5-7,12,14,18H,3-4,8-10H2,1-2H3
InChIKeyHRYRHDFSPPVSFX-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.15
Rot. Bonds5

About 2-cyclopropyl-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine

2-cyclopropyl-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine (PubChem CID 83149361) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-cyclopropyl-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine
PubChem CID83149361
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name2-cyclopropyl-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(CC1Cc2cc(F)ccc2O1)C1CC1
InChIInChI=1S/C16H22FNO/c1-16(10-18-2,12-3-4-12)9-14-8-11-7-13(17)5-6-15(11)19-14/h5-7,12,14,18H,3-4,8-10H2,1-2H3
InChIKeyHRYRHDFSPPVSFX-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine (CID 83149361) is 2-cyclopropyl-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine is CNCC(C)(CC1Cc2cc(F)ccc2O1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is HRYRHDFSPPVSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-16(10-18-2,12-3-4-12)9-14-8-11-7-13(17)5-6-15(11)19-14/h5-7,12,14,18H,3-4,8-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine?
2-cyclopropyl-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 263.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 83149361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).