N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine

C13H18FNO — CID 66363891

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
SMILESCCC(C)NCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C13H18FNO/c1-3-9(2)15-8-12-7-10-6-11(14)4-5-13(10)16-12/h4-6,9,12,15H,3,7-8H2,1-2H3
InChIKeyQRYMEPGWPKHFIV-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.52
Rot. Bonds4

About N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine (PubChem CID 66363891) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
PubChem CID66363891
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
SMILESCCC(C)NCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C13H18FNO/c1-3-9(2)15-8-12-7-10-6-11(14)4-5-13(10)16-12/h4-6,9,12,15H,3,7-8H2,1-2H3
InChIKeyQRYMEPGWPKHFIV-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine (CID 66363891) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine is CCC(C)NCC1Cc2cc(F)ccc2O1.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine?
The InChIKey is QRYMEPGWPKHFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-9(2)15-8-12-7-10-6-11(14)4-5-13(10)16-12/h4-6,9,12,15H,3,7-8H2,1-2H3.
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine has a molecular weight of 223.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine is sourced from PubChem (CID 66363891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).