1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine

C14H18N2O — CID 115207722

IUPAC1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine
SMILESCN(Cc1coc2ccccc12)CC1CNC1
InChIInChI=1S/C14H18N2O/c1-16(8-11-6-15-7-11)9-12-10-17-14-5-3-2-4-13(12)14/h2-5,10-11,15H,6-9H2,1H3
InChIKeyMYZBFMOBQIXMIV-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.08
Rot. Bonds4

About 1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine

1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine (PubChem CID 115207722) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine
PubChem CID115207722
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine
SMILESCN(Cc1coc2ccccc12)CC1CNC1
InChIInChI=1S/C14H18N2O/c1-16(8-11-6-15-7-11)9-12-10-17-14-5-3-2-4-13(12)14/h2-5,10-11,15H,6-9H2,1H3
InChIKeyMYZBFMOBQIXMIV-UHFFFAOYSA-N
XLogP2.08
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzofuran-3-ylmethyl)azetidine
CID 80700831
N-(1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 80702164
N-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine
CID 176732018
N-(1-benzofuran-3-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 80702786
[1-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]cyclopropyl]methanol
CID 115243599
2-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]-3-methylbutan-1-ol
CID 115252165
N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
CID 80702542
(E)-N-(1-benzofuran-3-ylmethyl)-3-cyclohexyl-N-methylprop-2-en-1-amine
CID 134559936
N-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine
CID 141098379
N'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine
CID 115202069
N-(1-benzofuran-3-ylmethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129340176
1-(azetidin-3-yl)-N-[(5-chloro-2-fluorophenyl)methyl]-N-methylmethanamine
CID 115207693

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine?
The IUPAC name of 1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine (CID 115207722) is 1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine?
The canonical SMILES for 1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine is CN(Cc1coc2ccccc12)CC1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine?
The InChIKey is MYZBFMOBQIXMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16(8-11-6-15-7-11)9-12-10-17-14-5-3-2-4-13(12)14/h2-5,10-11,15H,6-9H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine?
1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine has a molecular weight of 230.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine is sourced from PubChem (CID 115207722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).