N-[(1-aminocyclopropyl)methyl]-N-methyl-1-benzofuran-3-amine

C13H16N2O — CID 115256590

IUPACN-[(1-aminocyclopropyl)methyl]-N-methyl-1-benzofuran-3-amine
SMILESCN(CC1(N)CC1)c1coc2ccccc12
InChIInChI=1S/C13H16N2O/c1-15(9-13(14)6-7-13)11-8-16-12-5-3-2-4-10(11)12/h2-5,8H,6-7,9,14H2,1H3
InChIKeyJPXFECUGRJWJSI-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.36
Rot. Bonds3

About N-[(1-aminocyclopropyl)methyl]-N-methyl-1-benzofuran-3-amine

N-[(1-aminocyclopropyl)methyl]-N-methyl-1-benzofuran-3-amine (PubChem CID 115256590) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[(1-aminocyclopropyl)methyl]-N-methyl-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-[(1-aminocyclopropyl)methyl]-N-methyl-1-benzofuran-3-amine
PubChem CID115256590
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-[(1-aminocyclopropyl)methyl]-N-methyl-1-benzofuran-3-amine
SMILESCN(CC1(N)CC1)c1coc2ccccc12
InChIInChI=1S/C13H16N2O/c1-15(9-13(14)6-7-13)11-8-16-12-5-3-2-4-10(11)12/h2-5,8H,6-7,9,14H2,1H3
InChIKeyJPXFECUGRJWJSI-UHFFFAOYSA-N
XLogP2.36
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(1-benzofuran-3-yl)-N'-methylmethanediamine
CID 115225641
2-[1-benzofuran-3-yl(methyl)amino]acetonitrile
CID 115130924
N'-(1-benzofuran-3-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199967
N-methyl-N-(piperidin-4-ylmethyl)-1-benzofuran-3-amine
CID 115209916
5-[1-benzofuran-3-yl(methyl)amino]pentan-2-one
CID 115236413
2-[[1-benzofuran-3-yl(methyl)amino]methyl]-3-methylbutan-1-ol
CID 115252002
4-N-(1-benzofuran-3-yl)-4-N-methylcyclohexane-1,4-diamine
CID 115149803
[1-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]cyclopropyl]methanol
CID 115243599
N-[(1-aminocyclopropyl)methyl]-N-methyl-4-phenylaniline
CID 115256508
N-[(1-aminocyclopropyl)methyl]-4-methoxy-N,2,3-trimethylaniline
CID 115256537
1-[1-(aminomethyl)cyclopropyl]-1-(1-benzofuran-3-yl)-N,N-dimethylmethanamine
CID 116912315
4-[1-benzofuran-3-yl(methyl)amino]cyclohexan-1-ol
CID 115149469

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclopropyl)methyl]-N-methyl-1-benzofuran-3-amine?
The IUPAC name of N-[(1-aminocyclopropyl)methyl]-N-methyl-1-benzofuran-3-amine (CID 115256590) is N-[(1-aminocyclopropyl)methyl]-N-methyl-1-benzofuran-3-amine.
What is the SMILES notation for N-[(1-aminocyclopropyl)methyl]-N-methyl-1-benzofuran-3-amine?
The canonical SMILES for N-[(1-aminocyclopropyl)methyl]-N-methyl-1-benzofuran-3-amine is CN(CC1(N)CC1)c1coc2ccccc12.
What is the InChIKey of N-[(1-aminocyclopropyl)methyl]-N-methyl-1-benzofuran-3-amine?
The InChIKey is JPXFECUGRJWJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-15(9-13(14)6-7-13)11-8-16-12-5-3-2-4-10(11)12/h2-5,8H,6-7,9,14H2,1H3.
What are the key properties of N-[(1-aminocyclopropyl)methyl]-N-methyl-1-benzofuran-3-amine?
N-[(1-aminocyclopropyl)methyl]-N-methyl-1-benzofuran-3-amine has a molecular weight of 216.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclopropyl)methyl]-N-methyl-1-benzofuran-3-amine is sourced from PubChem (CID 115256590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).