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

C14H20ClNO — CID 113425467

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1cc(Cl)cc2c1OCC2)C(C)C
InChIInChI=1S/C14H20ClNO/c1-4-16-13(9(2)3)12-8-11(15)7-10-5-6-17-14(10)12/h7-9,13,16H,4-6H2,1-3H3
InChIKeyYGVBCBLSKUMELR-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.58
Rot. Bonds4

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

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 113425467) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-methylpropan-1-amine
PubChem CID113425467
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1cc(Cl)cc2c1OCC2)C(C)C
InChIInChI=1S/C14H20ClNO/c1-4-16-13(9(2)3)12-8-11(15)7-10-5-6-17-14(10)12/h7-9,13,16H,4-6H2,1-3H3
InChIKeyYGVBCBLSKUMELR-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.58
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-ethyl-3,4,4-trimethylpentan-1-amine
CID 104545584
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methyl-N-propylpentan-1-amine
CID 104545712
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(furan-3-yl)methyl]ethanamine
CID 104545649
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
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
7-(1-bromo-2-methylbutyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104544047
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)hexan-1-amine
CID 104545260
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethylbutan-1-ol
CID 104543070
7-(1-bromo-2-methylpentyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104544057
N-[(3-bromothiophen-2-yl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]ethanamine
CID 104545637

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-methylpropan-1-amine (CID 113425467) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-methylpropan-1-amine is CCNC(c1cc(Cl)cc2c1OCC2)C(C)C.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is YGVBCBLSKUMELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-4-16-13(9(2)3)12-8-11(15)7-10-5-6-17-14(10)12/h7-9,13,16H,4-6H2,1-3H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-methylpropan-1-amine?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.58, 4 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-2-methylpropan-1-amine is sourced from PubChem (CID 113425467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).