1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine

C10H10ClNO — CID 82704880

IUPAC1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine
SMILESCNCc1c(Cl)oc2ccccc12
InChIInChI=1S/C10H10ClNO/c1-12-6-8-7-4-2-3-5-9(7)13-10(8)11/h2-5,12H,6H2,1H3
InChIKeyQWCJGQAVFLMTSM-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.81
Rot. Bonds2

About 1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine

1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine (PubChem CID 82704880) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine
PubChem CID82704880
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine
SMILESCNCc1c(Cl)oc2ccccc12
InChIInChI=1S/C10H10ClNO/c1-12-6-8-7-4-2-3-5-9(7)13-10(8)11/h2-5,12H,6H2,1H3
InChIKeyQWCJGQAVFLMTSM-UHFFFAOYSA-N
XLogP2.81
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine
CID 83004186
N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 82760038
N-[(2-chloro-1-benzofuran-3-yl)methyl]-4-methylaniline
CID 82758767
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methylsulfanylethanamine
CID 82705605
2-[(2-chloro-1-benzofuran-3-yl)methylamino]-2-methylpropane-1,3-diol
CID 82759972
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114615968
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 82757959
2-[(2-chloro-1-benzofuran-3-yl)methylamino]-N-methylethanesulfonamide
CID 102674859
3-[(2-chloro-1-benzofuran-3-yl)methylamino]pentanenitrile
CID 82760289
N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-methylcyclohexan-1-amine
CID 82760458
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115777581
1-[(2-chloro-1-benzofuran-3-yl)methylamino]-2-methylbutan-2-ol
CID 82705341

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine (CID 82704880) is 1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine is CNCc1c(Cl)oc2ccccc12.
What is the InChIKey of 1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine?
The InChIKey is QWCJGQAVFLMTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-12-6-8-7-4-2-3-5-9(7)13-10(8)11/h2-5,12H,6H2,1H3.
What are the key properties of 1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine?
1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine has a molecular weight of 195.65 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine is sourced from PubChem (CID 82704880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).