N-[(7-bromo-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine

C15H17BrFNO — CID 114376802

IUPACN-[(7-bromo-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine
SMILESCC(C)c1c(CNC2CC2)oc2c(Br)cc(F)cc12
InChIInChI=1S/C15H17BrFNO/c1-8(2)14-11-5-9(17)6-12(16)15(11)19-13(14)7-18-10-3-4-10/h5-6,8,10,18H,3-4,7H2,1-2H3
InChIKeyBSEOKSREMANJAC-UHFFFAOYSA-N
MW326.21 g/mol
LogP4.71
Rot. Bonds4

About N-[(7-bromo-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine

N-[(7-bromo-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine (PubChem CID 114376802) has the molecular formula C15H17BrFNO and a molecular weight of 326.21 g/mol. Its IUPAC name is N-[(7-bromo-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(7-bromo-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine
PubChem CID114376802
Molecular FormulaC15H17BrFNO
Molecular Weight326.21 g/mol
Exact Mass325.05
IUPAC NameN-[(7-bromo-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine
SMILESCC(C)c1c(CNC2CC2)oc2c(Br)cc(F)cc12
InChIInChI=1S/C15H17BrFNO/c1-8(2)14-11-5-9(17)6-12(16)15(11)19-13(14)7-18-10-3-4-10/h5-6,8,10,18H,3-4,7H2,1-2H3
InChIKeyBSEOKSREMANJAC-UHFFFAOYSA-N
XLogP4.71
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(7-bromo-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114376798
N-[(7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114377094
N-[(7-bromo-5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 81048068
N-[[7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 114376782
N-[(7-bromo-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114376599
N-[[7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376801
N-[(5-bromo-4,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 107662996
N-[[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62784534
N-[[5-(2-bromo-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624901
N-[(5-bromo-7-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 113303052
N-[[4-fluoro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 102990769
[7-bromo-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
CID 114376786

Frequently Asked Questions

What is the IUPAC name of N-[(7-bromo-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(7-bromo-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine (CID 114376802) is N-[(7-bromo-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(7-bromo-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(7-bromo-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine is CC(C)c1c(CNC2CC2)oc2c(Br)cc(F)cc12.
What is the InChIKey of N-[(7-bromo-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine?
The InChIKey is BSEOKSREMANJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO/c1-8(2)14-11-5-9(17)6-12(16)15(11)19-13(14)7-18-10-3-4-10/h5-6,8,10,18H,3-4,7H2,1-2H3.
What are the key properties of N-[(7-bromo-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine?
N-[(7-bromo-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine has a molecular weight of 326.21 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-bromo-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 114376802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).