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

C16H20FNO — CID 102990772

IUPACN-[(4-fluoro-7-methyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
SMILESCCCc1c(CNC2CC2)oc2c(C)ccc(F)c12
InChIInChI=1S/C16H20FNO/c1-3-4-12-14(9-18-11-6-7-11)19-16-10(2)5-8-13(17)15(12)16/h5,8,11,18H,3-4,6-7,9H2,1-2H3
InChIKeyIEWHDJYDXPOFEQ-UHFFFAOYSA-N
MW261.34 g/mol
LogP4.08
Rot. Bonds5

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

N-[(4-fluoro-7-methyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine (PubChem CID 102990772) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[(4-fluoro-7-methyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-fluoro-7-methyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
PubChem CID102990772
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC NameN-[(4-fluoro-7-methyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
SMILESCCCc1c(CNC2CC2)oc2c(C)ccc(F)c12
InChIInChI=1S/C16H20FNO/c1-3-4-12-14(9-18-11-6-7-11)19-16-10(2)5-8-13(17)15(12)16/h5,8,11,18H,3-4,6-7,9H2,1-2H3
InChIKeyIEWHDJYDXPOFEQ-UHFFFAOYSA-N
XLogP4.08
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,7-difluoro-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114377379
N-[[4-fluoro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 102990769
N-[(4-chloro-3,7-dimethyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 81047445
N-[[4-chloro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114377473
N-[[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 107663049
N-[(7-tert-butyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114376722
N-[(5-bromo-4,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 107662996
N-[(4-fluoro-7-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 102990738
N-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114375304
N-[(3-cyclopropyl-6,7-difluoro-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114377290
(4-bromo-7-methyl-3-propyl-1-benzofuran-2-yl)methanamine
CID 107287741
1-(3-ethyl-7-fluoro-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843187

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-7-methyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-fluoro-7-methyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine (CID 102990772) is N-[(4-fluoro-7-methyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-fluoro-7-methyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-fluoro-7-methyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine is CCCc1c(CNC2CC2)oc2c(C)ccc(F)c12.
What is the InChIKey of N-[(4-fluoro-7-methyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine?
The InChIKey is IEWHDJYDXPOFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-3-4-12-14(9-18-11-6-7-11)19-16-10(2)5-8-13(17)15(12)16/h5,8,11,18H,3-4,6-7,9H2,1-2H3.
What are the key properties of N-[(4-fluoro-7-methyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine?
N-[(4-fluoro-7-methyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine has a molecular weight of 261.34 g/mol, XLogP of 4.08, 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-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 102990772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).