N-[[5-(aminomethyl)-1-benzofuran-3-yl]methyl]ethanamine

C12H16N2O — CID 117174172

IUPACN-[[5-(aminomethyl)-1-benzofuran-3-yl]methyl]ethanamine
SMILESCCNCc1coc2ccc(CN)cc12
InChIInChI=1S/C12H16N2O/c1-2-14-7-10-8-15-12-4-3-9(6-13)5-11(10)12/h3-5,8,14H,2,6-7,13H2,1H3
InChIKeyRSAMFEXIGICNRW-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.00
Rot. Bonds4

About N-[[5-(aminomethyl)-1-benzofuran-3-yl]methyl]ethanamine

N-[[5-(aminomethyl)-1-benzofuran-3-yl]methyl]ethanamine (PubChem CID 117174172) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-1-benzofuran-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-1-benzofuran-3-yl]methyl]ethanamine
PubChem CID117174172
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-[[5-(aminomethyl)-1-benzofuran-3-yl]methyl]ethanamine
SMILESCCNCc1coc2ccc(CN)cc12
InChIInChI=1S/C12H16N2O/c1-2-14-7-10-8-15-12-4-3-9(6-13)5-11(10)12/h3-5,8,14H,2,6-7,13H2,1H3
InChIKeyRSAMFEXIGICNRW-UHFFFAOYSA-N
XLogP2.00
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(5-propyl-1-benzofuran-3-yl)ethanamine
CID 81048090
2-(5-propyl-1-benzofuran-3-yl)ethanamine
CID 81048863
N-[(5-butan-2-yl-1-benzofuran-3-yl)methyl]ethanamine
CID 107669328
[3-(propan-2-yloxymethyl)-1-benzofuran-5-yl]methanamine
CID 117174176
4-[[5-(aminomethyl)-1-benzofuran-3-yl]methoxy]phenol
CID 117174167
N-[[5-(aminomethyl)-1-methylindol-3-yl]methyl]ethanamine
CID 117174929
[3-[(4-methylphenoxy)methyl]-1-benzofuran-5-yl]methanamine
CID 117174164
2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872501
3-(aminomethyl)-6-ethylchromen-4-one
CID 45094677
N-[[5-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]ethanamine
CID 117175409
3-(ethylaminomethyl)-1-benzofuran-6-carboxylic acid
CID 117177757
[3-(pyridin-3-yloxymethyl)-1-benzofuran-5-yl]methanamine
CID 117174169

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-1-benzofuran-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(aminomethyl)-1-benzofuran-3-yl]methyl]ethanamine (CID 117174172) is N-[[5-(aminomethyl)-1-benzofuran-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(aminomethyl)-1-benzofuran-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(aminomethyl)-1-benzofuran-3-yl]methyl]ethanamine is CCNCc1coc2ccc(CN)cc12.
What is the InChIKey of N-[[5-(aminomethyl)-1-benzofuran-3-yl]methyl]ethanamine?
The InChIKey is RSAMFEXIGICNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-14-7-10-8-15-12-4-3-9(6-13)5-11(10)12/h3-5,8,14H,2,6-7,13H2,1H3.
What are the key properties of N-[[5-(aminomethyl)-1-benzofuran-3-yl]methyl]ethanamine?
N-[[5-(aminomethyl)-1-benzofuran-3-yl]methyl]ethanamine has a molecular weight of 204.27 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-1-benzofuran-3-yl]methyl]ethanamine is sourced from PubChem (CID 117174172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).