N-[[2-(7-fluoro-1-benzofuran-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine

C17H22FNO — CID 114735682

IUPACN-[[2-(7-fluoro-1-benzofuran-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC1c1cc2cccc(F)c2o1
InChIInChI=1S/C17H22FNO/c1-11(2)9-19-10-13-6-7-14(13)16-8-12-4-3-5-15(18)17(12)20-16/h3-5,8,11,13-14,19H,6-7,9-10H2,1-2H3
InChIKeyPWJAFNKFXQBZRV-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.31
Rot. Bonds5

About N-[[2-(7-fluoro-1-benzofuran-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine

N-[[2-(7-fluoro-1-benzofuran-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine (PubChem CID 114735682) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[[2-(7-fluoro-1-benzofuran-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(7-fluoro-1-benzofuran-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
PubChem CID114735682
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC NameN-[[2-(7-fluoro-1-benzofuran-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC1c1cc2cccc(F)c2o1
InChIInChI=1S/C17H22FNO/c1-11(2)9-19-10-13-6-7-14(13)16-8-12-4-3-5-15(18)17(12)20-16/h3-5,8,11,13-14,19H,6-7,9-10H2,1-2H3
InChIKeyPWJAFNKFXQBZRV-UHFFFAOYSA-N
XLogP4.31
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(7-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 114735841
2-methyl-N-[(2-naphthalen-1-ylcyclobutyl)methyl]propan-1-amine
CID 81022663
N-[[2-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027831
N-[[2-(2,6-difluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81033331
[4-ethyl-2-(7-fluoro-1-benzofuran-2-yl)cyclohexyl]methanamine
CID 114735537
N-[[2-(7-methyl-1-benzofuran-2-yl)cyclopentyl]methyl]ethanamine
CID 114735736
N-[[2-(2,4-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028770
[2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)propyl]hydrazine
CID 105339223
(E)-4-(7-fluoro-1-benzofuran-2-yl)-N-(2-methylpropyl)but-3-en-1-amine
CID 114735292
N-[[2-(3-fluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81031468
N-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 79365705
3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-one
CID 114733135

Frequently Asked Questions

What is the IUPAC name of N-[[2-(7-fluoro-1-benzofuran-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(7-fluoro-1-benzofuran-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine (CID 114735682) is N-[[2-(7-fluoro-1-benzofuran-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(7-fluoro-1-benzofuran-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(7-fluoro-1-benzofuran-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCC1c1cc2cccc(F)c2o1.
What is the InChIKey of N-[[2-(7-fluoro-1-benzofuran-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The InChIKey is PWJAFNKFXQBZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-11(2)9-19-10-13-6-7-14(13)16-8-12-4-3-5-15(18)17(12)20-16/h3-5,8,11,13-14,19H,6-7,9-10H2,1-2H3.
What are the key properties of N-[[2-(7-fluoro-1-benzofuran-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine?
N-[[2-(7-fluoro-1-benzofuran-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(7-fluoro-1-benzofuran-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114735682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).