1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine

C18H26ClNO — CID 107178184

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)cc2c1OCC2)C1CCCCC1(C)C
InChIInChI=1S/C18H26ClNO/c1-18(2)8-5-4-6-15(18)16(20-3)14-11-13(19)10-12-7-9-21-17(12)14/h10-11,15-16,20H,4-9H2,1-3H3
InChIKeyGGHUOFLONMWJOE-UHFFFAOYSA-N
MW307.87 g/mol
LogP4.75
Rot. Bonds3

About 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine (PubChem CID 107178184) has the molecular formula C18H26ClNO and a molecular weight of 307.87 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
PubChem CID107178184
Molecular FormulaC18H26ClNO
Molecular Weight307.87 g/mol
Exact Mass307.17
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)cc2c1OCC2)C1CCCCC1(C)C
InChIInChI=1S/C18H26ClNO/c1-18(2)8-5-4-6-15(18)16(20-3)14-11-13(19)10-12-7-9-21-17(12)14/h10-11,15-16,20H,4-9H2,1-3H3
InChIKeyGGHUOFLONMWJOE-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 104545475
1-(2,4-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177661
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 104545395
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177289
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(1-methylcyclopentyl)methyl]ethanamine
CID 104545625
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-(2,2-dimethylcyclohexyl)ethanone
CID 107187399
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 104545535
7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544090
1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177171
1-(2,2-dimethylcyclopentyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 107177701
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N,2,2-trimethylbutan-1-amine
CID 113425464

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine (CID 107178184) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine is CNC(c1cc(Cl)cc2c1OCC2)C1CCCCC1(C)C.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine?
The InChIKey is GGHUOFLONMWJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-18(2)8-5-4-6-15(18)16(20-3)14-11-13(19)10-12-7-9-21-17(12)14/h10-11,15-16,20H,4-9H2,1-3H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine has a molecular weight of 307.87 g/mol, XLogP of 4.75, 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)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 107178184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).