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

C16H22N2O — CID 63865447

IUPACN-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
SMILESCC1CC1CN(C)Cc1c(CN)oc2ccccc12
InChIInChI=1S/C16H22N2O/c1-11-7-12(11)9-18(2)10-14-13-5-3-4-6-15(13)19-16(14)8-17/h3-6,11-12H,7-10,17H2,1-2H3
InChIKeyKZIHXFOPMRWWDP-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.98
Rot. Bonds5

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

N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine (PubChem CID 63865447) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
PubChem CID63865447
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
SMILESCC1CC1CN(C)Cc1c(CN)oc2ccccc12
InChIInChI=1S/C16H22N2O/c1-11-7-12(11)9-18(2)10-14-13-5-3-4-6-15(13)19-16(14)8-17/h3-6,11-12H,7-10,17H2,1-2H3
InChIKeyKZIHXFOPMRWWDP-UHFFFAOYSA-N
XLogP2.98
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine
CID 62417780
[3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1-benzofuran-2-yl]methanamine
CID 62411658
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylpropan-2-amine
CID 62425555
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine
CID 62420279
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 62431366
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylbutan-2-amine
CID 62420512
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 62435058
[3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 62418572
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115774534
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-propylpropan-1-amine
CID 62438385
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 64768719
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112665490

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine?
The IUPAC name of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine (CID 63865447) is N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine?
The canonical SMILES for N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine is CC1CC1CN(C)Cc1c(CN)oc2ccccc12.
What is the InChIKey of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine?
The InChIKey is KZIHXFOPMRWWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-7-12(11)9-18(2)10-14-13-5-3-4-6-15(13)19-16(14)8-17/h3-6,11-12H,7-10,17H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine?
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine has a molecular weight of 258.36 g/mol, XLogP of 2.98, 5 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-methyl-1-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 63865447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).