N-[3-(7-fluoro-1-benzofuran-2-yl)propyl]-2-methylpropan-2-amine

C15H20FNO — CID 114733328

IUPACN-[3-(7-fluoro-1-benzofuran-2-yl)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCc1cc2cccc(F)c2o1
InChIInChI=1S/C15H20FNO/c1-15(2,3)17-9-5-7-12-10-11-6-4-8-13(16)14(11)18-12/h4,6,8,10,17H,5,7,9H2,1-3H3
InChIKeyIWPBQQRCFGDRBH-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.89
Rot. Bonds4

About N-[3-(7-fluoro-1-benzofuran-2-yl)propyl]-2-methylpropan-2-amine

N-[3-(7-fluoro-1-benzofuran-2-yl)propyl]-2-methylpropan-2-amine (PubChem CID 114733328) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[3-(7-fluoro-1-benzofuran-2-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(7-fluoro-1-benzofuran-2-yl)propyl]-2-methylpropan-2-amine
PubChem CID114733328
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC NameN-[3-(7-fluoro-1-benzofuran-2-yl)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCc1cc2cccc(F)c2o1
InChIInChI=1S/C15H20FNO/c1-15(2,3)17-9-5-7-12-10-11-6-4-8-13(16)14(11)18-12/h4,6,8,10,17H,5,7,9H2,1-3H3
InChIKeyIWPBQQRCFGDRBH-UHFFFAOYSA-N
XLogP3.89
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.89
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

1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 65440139
1-(tert-butylamino)-2-(7-fluoro-1-benzofuran-2-yl)propan-2-ol
CID 114735205
(7-fluoro-1-benzofuran-2-yl)methanethiol
CID 117182886
2-(7-fluoro-1-benzofuran-2-yl)ethyl formate
CID 91524112
2-(7-fluoro-1-benzofuran-2-yl)acetaldehyde
CID 114732770
7-fluoro-2-prop-2-enyl-1-benzofuran
CID 114735883
1-cyclopropyl-3-(7-fluoro-1-benzofuran-2-yl)propan-1-one
CID 114733174
2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114735426
N-[3-(1-benzofuran-2-yl)propyl]-2,6-difluorobenzamide
CID 121020588
7-fluoro-2-(phenoxymethyl)-1-benzofuran
CID 117182764
N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728047
2-(7-fluoro-1-benzofuran-2-yl)pentan-2-ol
CID 114724331

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-fluoro-1-benzofuran-2-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(7-fluoro-1-benzofuran-2-yl)propyl]-2-methylpropan-2-amine (CID 114733328) is N-[3-(7-fluoro-1-benzofuran-2-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(7-fluoro-1-benzofuran-2-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(7-fluoro-1-benzofuran-2-yl)propyl]-2-methylpropan-2-amine is CC(C)(C)NCCCc1cc2cccc(F)c2o1.
What is the InChIKey of N-[3-(7-fluoro-1-benzofuran-2-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is IWPBQQRCFGDRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-15(2,3)17-9-5-7-12-10-11-6-4-8-13(16)14(11)18-12/h4,6,8,10,17H,5,7,9H2,1-3H3.
What are the key properties of N-[3-(7-fluoro-1-benzofuran-2-yl)propyl]-2-methylpropan-2-amine?
N-[3-(7-fluoro-1-benzofuran-2-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 249.33 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-fluoro-1-benzofuran-2-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114733328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).