[2-[(dimethylamino)methyl]-1-benzofuran-7-yl]methanamine

C12H16N2O — CID 84672518

IUPAC[2-[(dimethylamino)methyl]-1-benzofuran-7-yl]methanamine
SMILESCN(C)Cc1cc2cccc(CN)c2o1
InChIInChI=1S/C12H16N2O/c1-14(2)8-11-6-9-4-3-5-10(7-13)12(9)15-11/h3-6H,7-8,13H2,1-2H3
InChIKeyOXTGZMQUSAVCDB-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.95
Rot. Bonds3

About [2-[(dimethylamino)methyl]-1-benzofuran-7-yl]methanamine

[2-[(dimethylamino)methyl]-1-benzofuran-7-yl]methanamine (PubChem CID 84672518) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-1-benzofuran-7-yl]methanamine.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-1-benzofuran-7-yl]methanamine
PubChem CID84672518
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name[2-[(dimethylamino)methyl]-1-benzofuran-7-yl]methanamine
SMILESCN(C)Cc1cc2cccc(CN)c2o1
InChIInChI=1S/C12H16N2O/c1-14(2)8-11-6-9-4-3-5-10(7-13)12(9)15-11/h3-6H,7-8,13H2,1-2H3
InChIKeyOXTGZMQUSAVCDB-UHFFFAOYSA-N
XLogP1.95
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-methoxyphenoxy)methyl]-1-benzofuran-7-yl]methanamine
CID 117182688
(7-chloro-1-benzofuran-2-yl)methanamine
CID 65441087
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
(7-bromo-1-benzofuran-2-yl)methanamine
CID 61389824
7-(2-aminopropyl)-N,N-dimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 140503736
2-(7-methoxy-1-benzofuran-2-yl)ethanamine
CID 66592603
2-[(dimethylamino)methyl]-1-benzothiophen-7-ol
CID 84675578
1-(7-ethyl-1-benzofuran-2-yl)propan-1-one
CID 65427670
3-[(dimethylamino)methyl]-2-iodophenol
CID 135394008
1-(7-chloro-1-benzofuran-2-yl)propan-2-amine
CID 114735430
2-(aminooxymethyl)-1-benzofuran-7-ol
CID 117197013
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylcycloheptanamine
CID 55073900

Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-1-benzofuran-7-yl]methanamine?
The IUPAC name of [2-[(dimethylamino)methyl]-1-benzofuran-7-yl]methanamine (CID 84672518) is [2-[(dimethylamino)methyl]-1-benzofuran-7-yl]methanamine.
What is the SMILES notation for [2-[(dimethylamino)methyl]-1-benzofuran-7-yl]methanamine?
The canonical SMILES for [2-[(dimethylamino)methyl]-1-benzofuran-7-yl]methanamine is CN(C)Cc1cc2cccc(CN)c2o1.
What is the InChIKey of [2-[(dimethylamino)methyl]-1-benzofuran-7-yl]methanamine?
The InChIKey is OXTGZMQUSAVCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14(2)8-11-6-9-4-3-5-10(7-13)12(9)15-11/h3-6H,7-8,13H2,1-2H3.
What are the key properties of [2-[(dimethylamino)methyl]-1-benzofuran-7-yl]methanamine?
[2-[(dimethylamino)methyl]-1-benzofuran-7-yl]methanamine has a molecular weight of 204.27 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]-1-benzofuran-7-yl]methanamine is sourced from PubChem (CID 84672518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).