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

C18H26N2O — CID 62417778

IUPACN-methyl-N-[[2-[(2-methylpropylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine
SMILESCC(C)CNCc1oc2ccccc2c1CN(C)C1CC1
InChIInChI=1S/C18H26N2O/c1-13(2)10-19-11-18-16(12-20(3)14-8-9-14)15-6-4-5-7-17(15)21-18/h4-7,13-14,19H,8-12H2,1-3H3
InChIKeyVAKJUFOLAASPAS-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.77
Rot. Bonds7

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

N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine (PubChem CID 62417778) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-methyl-N-[[2-[(2-methylpropylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine
PubChem CID62417778
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-methyl-N-[[2-[(2-methylpropylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine
SMILESCC(C)CNCc1oc2ccccc2c1CN(C)C1CC1
InChIInChI=1S/C18H26N2O/c1-13(2)10-19-11-18-16(12-20(3)14-8-9-14)15-6-4-5-7-17(15)21-18/h4-7,13-14,19H,8-12H2,1-3H3
InChIKeyVAKJUFOLAASPAS-UHFFFAOYSA-N
XLogP3.77
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.77
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
N-[[3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 55073016
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,2-dimethylpropan-1-amine
CID 62422585
N-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62422951
N-methyl-N-[[4-methyl-5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62418553
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,3-dimethylbutan-2-amine
CID 62433185
N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclohexanamine
CID 62424075
N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine
CID 62418759
N-methyl-N-[[2-[(2-methylpropylamino)methyl]furan-3-yl]methyl]cyclopentanamine
CID 62419680
N-ethyl-N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62418335
N,3-dimethyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]butan-2-amine
CID 62433002
1-cyclopropyl-N-[[3-(ethylaminomethyl)-1-benzofuran-2-yl]methyl]-N-methylethanamine
CID 62434140

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine (CID 62417778) is N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine is CC(C)CNCc1oc2ccccc2c1CN(C)C1CC1.
What is the InChIKey of N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine?
The InChIKey is VAKJUFOLAASPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13(2)10-19-11-18-16(12-20(3)14-8-9-14)15-6-4-5-7-17(15)21-18/h4-7,13-14,19H,8-12H2,1-3H3.
What are the key properties of N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine?
N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine has a molecular weight of 286.42 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62417778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).