1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine

C14H16ClNO2 — CID 114729092

IUPAC1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCNC(c1cc2cc(Cl)ccc2o1)C1CCCO1
InChIInChI=1S/C14H16ClNO2/c1-16-14(12-3-2-6-17-12)13-8-9-7-10(15)4-5-11(9)18-13/h4-5,7-8,12,14,16H,2-3,6H2,1H3
InChIKeyXUBNZGTXCWKUBK-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.53
Rot. Bonds3

About 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine

1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine (PubChem CID 114729092) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine
PubChem CID114729092
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCNC(c1cc2cc(Cl)ccc2o1)C1CCCO1
InChIInChI=1S/C14H16ClNO2/c1-16-14(12-3-2-6-17-12)13-8-9-7-10(15)4-5-11(9)18-13/h4-5,7-8,12,14,16H,2-3,6H2,1H3
InChIKeyXUBNZGTXCWKUBK-UHFFFAOYSA-N
XLogP3.53
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(thiolan-2-yl)methanamine
CID 114730301
N-[7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]ethanamine
CID 105045723
N-[(5-chloro-1-benzofuran-2-yl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105045848
N-[(5-chloro-1-benzofuran-2-yl)-(1,4-oxathian-2-yl)methyl]propan-1-amine
CID 114730026
[(5-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclopropyl)methyl]hydrazine
CID 107005863
N-[(5-chloro-1-benzofuran-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine
CID 105045843
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 114730060
[(5-chloro-1-benzofuran-2-yl)-(thian-2-yl)methyl]hydrazine
CID 105255679
N-methyl-1-(oxolan-2-yl)-1-(2,4,5-trifluorophenyl)methanamine
CID 103302330
N-methyl-1-naphthalen-2-yl-1-(oxolan-2-yl)methanamine
CID 65328741
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105185674
1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43481680

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine (CID 114729092) is 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine is CNC(c1cc2cc(Cl)ccc2o1)C1CCCO1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
The InChIKey is XUBNZGTXCWKUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-16-14(12-3-2-6-17-12)13-8-9-7-10(15)4-5-11(9)18-13/h4-5,7-8,12,14,16H,2-3,6H2,1H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine has a molecular weight of 265.74 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 114729092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).