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

C15H22ClNO — CID 113403546

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylbutan-2-amine
SMILESCCNC(Cc1cc(Cl)cc2c1OCC2)C(C)C
InChIInChI=1S/C15H22ClNO/c1-4-17-14(10(2)3)9-12-8-13(16)7-11-5-6-18-15(11)12/h7-8,10,14,17H,4-6,9H2,1-3H3
InChIKeyORSAIBUJRHWSIR-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.45
Rot. Bonds5

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

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylbutan-2-amine (PubChem CID 113403546) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylbutan-2-amine
PubChem CID113403546
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylbutan-2-amine
SMILESCCNC(Cc1cc(Cl)cc2c1OCC2)C(C)C
InChIInChI=1S/C15H22ClNO/c1-4-17-14(10(2)3)9-12-8-13(16)7-11-5-6-18-15(11)12/h7-8,10,14,17H,4-6,9H2,1-3H3
InChIKeyORSAIBUJRHWSIR-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.45
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-methylsulfonylbutan-2-amine
CID 105031396
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethoxy-N-ethylpentan-2-amine
CID 116717008
3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 105031458
(2S)-2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-methylbutan-1-ol
CID 114982869
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,4-dimethylpentan-2-amine
CID 116721258
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chlorofuran-2-yl)-N-ethylethanamine
CID 106692957
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-methylpropan-1-amine
CID 113425467
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-propylbutan-2-amine
CID 113403548
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(ethylamino)pentan-2-one
CID 116566712
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116758088
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-ethoxy-N-ethylpentan-2-amine
CID 105178381

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylbutan-2-amine?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylbutan-2-amine (CID 113403546) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylbutan-2-amine.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylbutan-2-amine?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylbutan-2-amine is CCNC(Cc1cc(Cl)cc2c1OCC2)C(C)C.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylbutan-2-amine?
The InChIKey is ORSAIBUJRHWSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-4-17-14(10(2)3)9-12-8-13(16)7-11-5-6-18-15(11)12/h7-8,10,14,17H,4-6,9H2,1-3H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylbutan-2-amine?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methylbutan-2-amine has a molecular weight of 267.80 g/mol, XLogP of 3.45, 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-methylbutan-2-amine is sourced from PubChem (CID 113403546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).