1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine

C16H22ClNO — CID 104545475

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
SMILESCNC(c1cc(Cl)cc2c1OCC2)C1(C)CCCC1
InChIInChI=1S/C16H22ClNO/c1-16(6-3-4-7-16)15(18-2)13-10-12(17)9-11-5-8-19-14(11)13/h9-10,15,18H,3-8H2,1-2H3
InChIKeyUDZROADNVGLVMF-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.12
Rot. Bonds3

About 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine (PubChem CID 104545475) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
PubChem CID104545475
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
SMILESCNC(c1cc(Cl)cc2c1OCC2)C1(C)CCCC1
InChIInChI=1S/C16H22ClNO/c1-16(6-3-4-7-16)15(18-2)13-10-12(17)9-11-5-8-19-14(11)13/h9-10,15,18H,3-8H2,1-2H3
InChIKeyUDZROADNVGLVMF-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(1-methylcyclopentyl)methyl]ethanamine
CID 104545625
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 104545395
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107178184
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830699
7-[bromo-(2-methyloxolan-2-yl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 113425259
[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine
CID 106831346
1-(3-bromo-5-chlorophenyl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 107950904
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N,2,2-trimethylbutan-1-amine
CID 113425464
1-(4-bromophenyl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 104545501
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 104545535
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylnonan-1-amine
CID 104545544
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 104545410

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine (CID 104545475) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine is CNC(c1cc(Cl)cc2c1OCC2)C1(C)CCCC1.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
The InChIKey is UDZROADNVGLVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-16(6-3-4-7-16)15(18-2)13-10-12(17)9-11-5-8-19-14(11)13/h9-10,15,18H,3-8H2,1-2H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine has a molecular weight of 279.81 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine is sourced from PubChem (CID 104545475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).