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

C14H18N2O — CID 62417780

IUPACN-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine
SMILESCN(Cc1c(CN)oc2ccccc12)C1CC1
InChIInChI=1S/C14H18N2O/c1-16(10-6-7-10)9-12-11-4-2-3-5-13(11)17-14(12)8-15/h2-5,10H,6-9,15H2,1H3
InChIKeyFTBNJXBKBRJERE-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.49
Rot. Bonds4

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

N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine (PubChem CID 62417780) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine
PubChem CID62417780
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine
SMILESCN(Cc1c(CN)oc2ccccc12)C1CC1
InChIInChI=1S/C14H18N2O/c1-16(10-6-7-10)9-12-11-4-2-3-5-13(11)17-14(12)8-15/h2-5,10H,6-9,15H2,1H3
InChIKeyFTBNJXBKBRJERE-UHFFFAOYSA-N
XLogP2.49
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 62435058
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylpropan-2-amine
CID 62425555
N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62417778
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63865447
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine
CID 62420279
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylbutan-2-amine
CID 62420512
N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclohexanamine
CID 62424075
[3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1-benzofuran-2-yl]methanamine
CID 62411658
[3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 62418572
1-[1-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62888364
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 62431366
[3-[(2,5-dimethylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 62432254

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine?
The IUPAC name of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine (CID 62417780) is N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine is CN(Cc1c(CN)oc2ccccc12)C1CC1.
What is the InChIKey of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine?
The InChIKey is FTBNJXBKBRJERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16(10-6-7-10)9-12-11-4-2-3-5-13(11)17-14(12)8-15/h2-5,10H,6-9,15H2,1H3.
What are the key properties of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine?
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine has a molecular weight of 230.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine is sourced from PubChem (CID 62417780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).