4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine

C16H24FNO — CID 66360718

IUPAC4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C16H24FNO/c1-12(2)11-18-8-4-3-5-15-10-13-9-14(17)6-7-16(13)19-15/h6-7,9,12,15,18H,3-5,8,10-11H2,1-2H3
InChIKeyNGRAVPBGXKQWJR-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.55
Rot. Bonds7

About 4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine

4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 66360718) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine
PubChem CID66360718
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C16H24FNO/c1-12(2)11-18-8-4-3-5-15-10-13-9-14(17)6-7-16(13)19-15/h6-7,9,12,15,18H,3-5,8,10-11H2,1-2H3
InChIKeyNGRAVPBGXKQWJR-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)butyl]cyclopropanamine
CID 66360716
4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylbutan-1-amine
CID 66362644
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine
CID 66363121
4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 66362834
2-(3-bromobutyl)-5-fluoro-2,3-dihydro-1-benzofuran
CID 66360114
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66363725
N-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine
CID 66393308
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methoxypropan-1-amine
CID 66365462
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-propylheptan-4-amine
CID 66361681
N-tert-butyl-4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methylbutan-1-amine
CID 66362836
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 66363891

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine (CID 66360718) is 4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCCCC1Cc2cc(F)ccc2O1.
What is the InChIKey of 4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is NGRAVPBGXKQWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-12(2)11-18-8-4-3-5-15-10-13-9-14(17)6-7-16(13)19-15/h6-7,9,12,15,18H,3-5,8,10-11H2,1-2H3.
What are the key properties of 4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine?
4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 66360718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).