1-(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)-N-methylmethanamine

C13H13Cl2NO — CID 114375475

IUPAC1-(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNCc1oc2c(Cl)c(Cl)ccc2c1C1CC1
InChIInChI=1S/C13H13Cl2NO/c1-16-6-10-11(7-2-3-7)8-4-5-9(14)12(15)13(8)17-10/h4-5,7,16H,2-3,6H2,1H3
InChIKeyCUDNEBBCKFEWSW-UHFFFAOYSA-N
MW270.16 g/mol
LogP4.34
Rot. Bonds3

About 1-(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)-N-methylmethanamine

1-(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 114375475) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is 1-(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID114375475
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC Name1-(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNCc1oc2c(Cl)c(Cl)ccc2c1C1CC1
InChIInChI=1S/C13H13Cl2NO/c1-16-6-10-11(7-2-3-7)8-4-5-9(14)12(15)13(8)17-10/h4-5,7,16H,2-3,6H2,1H3
InChIKeyCUDNEBBCKFEWSW-UHFFFAOYSA-N
XLogP4.34
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61282680
1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
CID 61282681
N-[1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 61282881
(7-Chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methanamine
CID 62380868
(7-Chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methanamine
CID 62381046
[7-Chloro-5-fluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 62381235
1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-1-cyclopropyl-N-methylmethanamine
CID 65438339
N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine
CID 65438525
1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine
CID 65438526
N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
CID 65438527
1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-ethylpropan-1-amine
CID 65439271
1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N,2-dimethylpropan-1-amine
CID 65439273

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)-N-methylmethanamine (CID 114375475) is 1-(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)-N-methylmethanamine is CNCc1oc2c(Cl)c(Cl)ccc2c1C1CC1.
What is the InChIKey of 1-(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is CUDNEBBCKFEWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO/c1-16-6-10-11(7-2-3-7)8-4-5-9(14)12(15)13(8)17-10/h4-5,7,16H,2-3,6H2,1H3.
What are the key properties of 1-(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)-N-methylmethanamine?
1-(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 270.16 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 114375475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).