1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3,4,4-trimethylpentan-1-amine

C18H28ClNO — CID 104545584

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3,4,4-trimethylpentan-1-amine
SMILESCCNC(CC(C)C(C)(C)C)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C18H28ClNO/c1-6-20-16(9-12(2)18(3,4)5)15-11-14(19)10-13-7-8-21-17(13)15/h10-12,16,20H,6-9H2,1-5H3
InChIKeyIHDJZWWMNDAZFA-UHFFFAOYSA-N
MW309.88 g/mol
LogP5.00
Rot. Bonds5

About 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3,4,4-trimethylpentan-1-amine

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3,4,4-trimethylpentan-1-amine (PubChem CID 104545584) 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)-N-ethyl-3,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3,4,4-trimethylpentan-1-amine
PubChem CID104545584
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3,4,4-trimethylpentan-1-amine
SMILESCCNC(CC(C)C(C)(C)C)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C18H28ClNO/c1-6-20-16(9-12(2)18(3,4)5)15-11-14(19)10-13-7-8-21-17(13)15/h10-12,16,20H,6-9H2,1-5H3
InChIKeyIHDJZWWMNDAZFA-UHFFFAOYSA-N
XLogP5.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3,4,4-trimethylpentan-1-amine with MolForge

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Related Compounds

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-methylpropan-1-amine
CID 113425467
1-(2,5-dichlorophenyl)-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 55261862
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N,2,2-trimethylbutan-1-amine
CID 113425464
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylbutan-2-amine
CID 113403546
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)-2,2-dimethyl-N-propylbutan-1-amine
CID 104545740
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 104545659
N-[(2-bromophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]ethanamine
CID 104545592
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-N-propylpentan-1-amine
CID 104545712
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)-1-(5-chlorofuran-2-yl)-N-ethylethanamine
CID 106692957
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(furan-3-yl)methyl]ethanamine
CID 104545649

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3,4,4-trimethylpentan-1-amine?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3,4,4-trimethylpentan-1-amine (CID 104545584) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3,4,4-trimethylpentan-1-amine.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3,4,4-trimethylpentan-1-amine?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3,4,4-trimethylpentan-1-amine is CCNC(CC(C)C(C)(C)C)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3,4,4-trimethylpentan-1-amine?
The InChIKey is IHDJZWWMNDAZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-6-20-16(9-12(2)18(3,4)5)15-11-14(19)10-13-7-8-21-17(13)15/h10-12,16,20H,6-9H2,1-5H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3,4,4-trimethylpentan-1-amine?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3,4,4-trimethylpentan-1-amine has a molecular weight of 309.88 g/mol, XLogP of 5.00, 5 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-ethyl-3,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 104545584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).