N-[[4-chloro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine

C15H18ClNO2 — CID 114377473

IUPACN-[[4-chloro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
SMILESCOCc1c(CNC2CC2)oc2c(C)ccc(Cl)c12
InChIInChI=1S/C15H18ClNO2/c1-9-3-6-12(16)14-11(8-18-2)13(19-15(9)14)7-17-10-4-5-10/h3,6,10,17H,4-5,7-8H2,1-2H3
InChIKeyLLYCUNXMQLSBEJ-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.79
Rot. Bonds5

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

N-[[4-chloro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine (PubChem CID 114377473) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[[4-chloro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-chloro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
PubChem CID114377473
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC NameN-[[4-chloro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
SMILESCOCc1c(CNC2CC2)oc2c(C)ccc(Cl)c12
InChIInChI=1S/C15H18ClNO2/c1-9-3-6-12(16)14-11(8-18-2)13(19-15(9)14)7-17-10-4-5-10/h3,6,10,17H,4-5,7-8H2,1-2H3
InChIKeyLLYCUNXMQLSBEJ-UHFFFAOYSA-N
XLogP3.79
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-3,7-dimethyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 81047445
N-[[7-fluoro-3-(methoxymethyl)-6-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 107663049
N-[(4-fluoro-7-methyl-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 102990772
N-[[7-methoxy-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114375003
N-[[4-fluoro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 102990769
N-[(7-chloro-3-ethyl-5-methyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 113459857
N-[[4,6-difluoro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114377249
N-[(4-chloro-3-ethyl-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104843191
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-[[5-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114375292
N-[(5-bromo-4,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 107662996

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-chloro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine (CID 114377473) is N-[[4-chloro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-chloro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-chloro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine is COCc1c(CNC2CC2)oc2c(C)ccc(Cl)c12.
What is the InChIKey of N-[[4-chloro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine?
The InChIKey is LLYCUNXMQLSBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-9-3-6-12(16)14-11(8-18-2)13(19-15(9)14)7-17-10-4-5-10/h3,6,10,17H,4-5,7-8H2,1-2H3.
What are the key properties of N-[[4-chloro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine?
N-[[4-chloro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine has a molecular weight of 279.77 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114377473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).