1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethyl-N-methylheptan-2-amine

C18H28ClNO — CID 105031448

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethyl-N-methylheptan-2-amine
SMILESCCCCC(CC)C(Cc1cc(Cl)cc2c1OCC2)NC
InChIInChI=1S/C18H28ClNO/c1-4-6-7-13(5-2)17(20-3)12-15-11-16(19)10-14-8-9-21-18(14)15/h10-11,13,17,20H,4-9,12H2,1-3H3
InChIKeyYTNGSEJRWGATHT-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.62
Rot. Bonds8

About 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethyl-N-methylheptan-2-amine

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethyl-N-methylheptan-2-amine (PubChem CID 105031448) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethyl-N-methylheptan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethyl-N-methylheptan-2-amine
PubChem CID105031448
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethyl-N-methylheptan-2-amine
SMILESCCCCC(CC)C(Cc1cc(Cl)cc2c1OCC2)NC
InChIInChI=1S/C18H28ClNO/c1-4-6-7-13(5-2)17(20-3)12-15-11-16(19)10-14-8-9-21-18(14)15/h10-11,13,17,20H,4-9,12H2,1-3H3
InChIKeyYTNGSEJRWGATHT-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethylheptan-2-yl]hydrazine
CID 105332421
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethoxy-N,4-dimethylpentan-2-amine
CID 116721258
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine
CID 105031486
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylbutan-2-amine
CID 113403546
1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine
CID 115863064
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-propylbutan-2-amine
CID 113403548
5-chloro-7-(4-chloroheptyl)-2,3-dihydro-1-benzofuran
CID 113403748
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethoxy-N-ethylpentan-2-amine
CID 116717008
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylnonan-1-amine
CID 104545544
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 105031407
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-propoxybutan-2-ol
CID 105123648

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethyl-N-methylheptan-2-amine?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethyl-N-methylheptan-2-amine (CID 105031448) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethyl-N-methylheptan-2-amine.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethyl-N-methylheptan-2-amine?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethyl-N-methylheptan-2-amine is CCCCC(CC)C(Cc1cc(Cl)cc2c1OCC2)NC.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethyl-N-methylheptan-2-amine?
The InChIKey is YTNGSEJRWGATHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-4-6-7-13(5-2)17(20-3)12-15-11-16(19)10-14-8-9-21-18(14)15/h10-11,13,17,20H,4-9,12H2,1-3H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethyl-N-methylheptan-2-amine?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethyl-N-methylheptan-2-amine has a molecular weight of 309.88 g/mol, XLogP of 4.62, 8 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)-3-ethyl-N-methylheptan-2-amine is sourced from PubChem (CID 105031448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).