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

C15H22FNO — CID 66360894

IUPAC2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CN)CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C15H22FNO/c1-3-6-15(2,10-17)9-13-8-11-7-12(16)4-5-14(11)18-13/h4-5,7,13H,3,6,8-10,17H2,1-2H3
InChIKeyLXBONGFDUXHACQ-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.28
Rot. Bonds5

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

2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylpentan-1-amine (PubChem CID 66360894) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylpentan-1-amine
PubChem CID66360894
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CN)CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C15H22FNO/c1-3-6-15(2,10-17)9-13-8-11-7-12(16)4-5-14(11)18-13/h4-5,7,13H,3,6,8-10,17H2,1-2H3
InChIKeyLXBONGFDUXHACQ-UHFFFAOYSA-N
XLogP3.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,2-dimethylpentan-1-amine
CID 66362244
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyl-N-propylpentan-1-amine
CID 66362436
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
N-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 66360317
2-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-1-ol
CID 66393326
3-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-N-methylbutane-1,3-diamine
CID 66365258
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2-methylbutan-2-amine
CID 66364142
2-cyclopropyl-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine
CID 83149361
2-(3-bromo-2-methylbutyl)-5-fluoro-2,3-dihydro-1-benzofuran
CID 66360498
3-ethyl-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidine
CID 79451353
4-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121920
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,4,4-trimethylpentan-2-amine
CID 66363911

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylpentan-1-amine?
The IUPAC name of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylpentan-1-amine (CID 66360894) is 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylpentan-1-amine.
What is the SMILES notation for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylpentan-1-amine?
The canonical SMILES for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylpentan-1-amine is CCCC(C)(CN)CC1Cc2cc(F)ccc2O1.
What is the InChIKey of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylpentan-1-amine?
The InChIKey is LXBONGFDUXHACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-6-15(2,10-17)9-13-8-11-7-12(16)4-5-14(11)18-13/h4-5,7,13H,3,6,8-10,17H2,1-2H3.
What are the key properties of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylpentan-1-amine?
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylpentan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylpentan-1-amine is sourced from PubChem (CID 66360894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).