1-(2-chloro-4,5,6,7-tetrahydro-1-benzofuran-7-yl)-N-methylmethanamine

C10H14ClNO — CID 83908304

IUPAC1-(2-chloro-4,5,6,7-tetrahydro-1-benzofuran-7-yl)-N-methylmethanamine
SMILESCNCC1CCCc2cc(Cl)oc21
InChIInChI=1S/C10H14ClNO/c1-12-6-8-4-2-3-7-5-9(11)13-10(7)8/h5,8,12H,2-4,6H2,1H3
InChIKeyJMYZXTHFXNNXRC-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.57
Rot. Bonds2

About 1-(2-chloro-4,5,6,7-tetrahydro-1-benzofuran-7-yl)-N-methylmethanamine

1-(2-chloro-4,5,6,7-tetrahydro-1-benzofuran-7-yl)-N-methylmethanamine (PubChem CID 83908304) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-(2-chloro-4,5,6,7-tetrahydro-1-benzofuran-7-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-4,5,6,7-tetrahydro-1-benzofuran-7-yl)-N-methylmethanamine
PubChem CID83908304
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name1-(2-chloro-4,5,6,7-tetrahydro-1-benzofuran-7-yl)-N-methylmethanamine
SMILESCNCC1CCCc2cc(Cl)oc21
InChIInChI=1S/C10H14ClNO/c1-12-6-8-4-2-3-7-5-9(11)13-10(7)8/h5,8,12H,2-4,6H2,1H3
InChIKeyJMYZXTHFXNNXRC-UHFFFAOYSA-N
XLogP2.57
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5,6,7-tetrahydro-1-benzofuran-7-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-4,5,6,7-tetrahydro-1-benzofuran-7-yl)-N-methylmethanamine (CID 83908304) is 1-(2-chloro-4,5,6,7-tetrahydro-1-benzofuran-7-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-4,5,6,7-tetrahydro-1-benzofuran-7-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-4,5,6,7-tetrahydro-1-benzofuran-7-yl)-N-methylmethanamine is CNCC1CCCc2cc(Cl)oc21.
What is the InChIKey of 1-(2-chloro-4,5,6,7-tetrahydro-1-benzofuran-7-yl)-N-methylmethanamine?
The InChIKey is JMYZXTHFXNNXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-12-6-8-4-2-3-7-5-9(11)13-10(7)8/h5,8,12H,2-4,6H2,1H3.
What are the key properties of 1-(2-chloro-4,5,6,7-tetrahydro-1-benzofuran-7-yl)-N-methylmethanamine?
1-(2-chloro-4,5,6,7-tetrahydro-1-benzofuran-7-yl)-N-methylmethanamine has a molecular weight of 199.68 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5,6,7-tetrahydro-1-benzofuran-7-yl)-N-methylmethanamine is sourced from PubChem (CID 83908304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).