N-[[4-fluoro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]cyclopropanamine

C17H22FNO — CID 102990769

IUPACN-[[4-fluoro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
SMILESCc1ccc(F)c2c(CC(C)C)c(CNC3CC3)oc12
InChIInChI=1S/C17H22FNO/c1-10(2)8-13-15(9-19-12-5-6-12)20-17-11(3)4-7-14(18)16(13)17/h4,7,10,12,19H,5-6,8-9H2,1-3H3
InChIKeyYHMSWVWIQXISII-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.33
Rot. Bonds5

About N-[[4-fluoro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]cyclopropanamine

N-[[4-fluoro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]cyclopropanamine (PubChem CID 102990769) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[[4-fluoro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-fluoro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
PubChem CID102990769
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC NameN-[[4-fluoro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
SMILESCc1ccc(F)c2c(CC(C)C)c(CNC3CC3)oc12
InChIInChI=1S/C17H22FNO/c1-10(2)8-13-15(9-19-12-5-6-12)20-17-11(3)4-7-14(18)16(13)17/h4,7,10,12,19H,5-6,8-9H2,1-3H3
InChIKeyYHMSWVWIQXISII-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-7-methyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 102990772
N-[(4,7-difluoro-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114377379
N-[[4,7-difluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 114377381
N-[(4-chloro-3,7-dimethyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 81047445
N-[[7-bromo-4-fluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-1-amine
CID 114377531
N-[[7-bromo-4-fluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 114377542
N-[[4-chloro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114377473
1-[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 114377486
N-[[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114377499
N-[[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 107663049
[4,7-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114375860
N-[(4-fluoro-7-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 102990738

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-fluoro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]cyclopropanamine (CID 102990769) is N-[[4-fluoro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-fluoro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-fluoro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]cyclopropanamine is Cc1ccc(F)c2c(CC(C)C)c(CNC3CC3)oc12.
What is the InChIKey of N-[[4-fluoro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]cyclopropanamine?
The InChIKey is YHMSWVWIQXISII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-10(2)8-13-15(9-19-12-5-6-12)20-17-11(3)4-7-14(18)16(13)17/h4,7,10,12,19H,5-6,8-9H2,1-3H3.
What are the key properties of N-[[4-fluoro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]cyclopropanamine?
N-[[4-fluoro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]cyclopropanamine has a molecular weight of 275.37 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 102990769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).