N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine

C16H22N2O2 — CID 62435058

IUPACN-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine
SMILESCOCCN(Cc1c(CN)oc2ccccc12)C1CC1
InChIInChI=1S/C16H22N2O2/c1-19-9-8-18(12-6-7-12)11-14-13-4-2-3-5-15(13)20-16(14)10-17/h2-5,12H,6-11,17H2,1H3
InChIKeyBFQNSUMPXUNHDE-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.50
Rot. Bonds7

About N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine

N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine (PubChem CID 62435058) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine
PubChem CID62435058
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine
SMILESCOCCN(Cc1c(CN)oc2ccccc12)C1CC1
InChIInChI=1S/C16H22N2O2/c1-19-9-8-18(12-6-7-12)11-14-13-4-2-3-5-15(13)20-16(14)10-17/h2-5,12H,6-11,17H2,1H3
InChIKeyBFQNSUMPXUNHDE-UHFFFAOYSA-N
XLogP2.50
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine
CID 62417780
N-[[6-(aminomethyl)-2-pyridinyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 106906242
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine
CID 62420279
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylpropan-2-amine
CID 62425555
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63865447
N-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62422951
N-butyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62431444
[2-[[cyclopropyl(2-methoxyethyl)amino]methyl]phenyl]boronic acid
CID 54970631
2-[[2-(aminomethyl)-1-benzofuran-3-yl]methoxy]-N,N-diethylethanamine
CID 62460049
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 54946800
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylbutan-2-amine
CID 62420512

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine?
The IUPAC name of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine (CID 62435058) is N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine.
What is the SMILES notation for N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine?
The canonical SMILES for N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine is COCCN(Cc1c(CN)oc2ccccc12)C1CC1.
What is the InChIKey of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine?
The InChIKey is BFQNSUMPXUNHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-19-9-8-18(12-6-7-12)11-14-13-4-2-3-5-15(13)20-16(14)10-17/h2-5,12H,6-11,17H2,1H3.
What are the key properties of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine?
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine has a molecular weight of 274.36 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine is sourced from PubChem (CID 62435058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).