N-[(6-chloro-1-benzofuran-3-yl)methyl]cyclopropanamine

C12H12ClNO — CID 117177526

IUPACN-[(6-chloro-1-benzofuran-3-yl)methyl]cyclopropanamine
SMILESClc1ccc2c(CNC3CC3)coc2c1
InChIInChI=1S/C12H12ClNO/c13-9-1-4-11-8(6-14-10-2-3-10)7-15-12(11)5-9/h1,4-5,7,10,14H,2-3,6H2
InChIKeyYMSXROJLDODLRN-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.34
Rot. Bonds3

About N-[(6-chloro-1-benzofuran-3-yl)methyl]cyclopropanamine

N-[(6-chloro-1-benzofuran-3-yl)methyl]cyclopropanamine (PubChem CID 117177526) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is N-[(6-chloro-1-benzofuran-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(6-chloro-1-benzofuran-3-yl)methyl]cyclopropanamine
PubChem CID117177526
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC NameN-[(6-chloro-1-benzofuran-3-yl)methyl]cyclopropanamine
SMILESClc1ccc2c(CNC3CC3)coc2c1
InChIInChI=1S/C12H12ClNO/c13-9-1-4-11-8(6-14-10-2-3-10)7-15-12(11)5-9/h1,4-5,7,10,14H,2-3,6H2
InChIKeyYMSXROJLDODLRN-UHFFFAOYSA-N
XLogP3.34
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-1-benzofuran-3-yl)methyl]cyclobutanamine
CID 117174185
4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine
CID 80700876
4-(1-benzofuran-3-ylmethylamino)cyclohexane-1-carbonitrile
CID 115150174
ethyl 2-(6-chloro-1-benzofuran-3-yl)acetate
CID 12936152
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 24504197
N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65316304
N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine
CID 66161100
N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine
CID 115750478
N-[(6-chloro-1H-indol-3-yl)methyl]-4-methylcyclohexan-1-amine
CID 78968600
2-(6-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 137363295
N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 65316024
4-[(6-chloro-1H-indol-3-yl)methylamino]cyclohexan-1-ol
CID 78968534

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1-benzofuran-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(6-chloro-1-benzofuran-3-yl)methyl]cyclopropanamine (CID 117177526) is N-[(6-chloro-1-benzofuran-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(6-chloro-1-benzofuran-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(6-chloro-1-benzofuran-3-yl)methyl]cyclopropanamine is Clc1ccc2c(CNC3CC3)coc2c1.
What is the InChIKey of N-[(6-chloro-1-benzofuran-3-yl)methyl]cyclopropanamine?
The InChIKey is YMSXROJLDODLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c13-9-1-4-11-8(6-14-10-2-3-10)7-15-12(11)5-9/h1,4-5,7,10,14H,2-3,6H2.
What are the key properties of N-[(6-chloro-1-benzofuran-3-yl)methyl]cyclopropanamine?
N-[(6-chloro-1-benzofuran-3-yl)methyl]cyclopropanamine has a molecular weight of 221.69 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1-benzofuran-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 117177526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).