5-butan-2-yl-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine

C17H27NO — CID 107667200

IUPAC5-butan-2-yl-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2ccc(C(C)CC)cc2C1NCC
InChIInChI=1S/C17H27NO/c1-5-8-16-17(18-7-3)14-11-13(12(4)6-2)9-10-15(14)19-16/h9-12,16-18H,5-8H2,1-4H3
InChIKeyHSSFZCQDBJNQKE-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.41
Rot. Bonds6

About 5-butan-2-yl-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine

5-butan-2-yl-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 107667200) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-butan-2-yl-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-butan-2-yl-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID107667200
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name5-butan-2-yl-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2ccc(C(C)CC)cc2C1NCC
InChIInChI=1S/C17H27NO/c1-5-8-16-17(18-7-3)14-11-13(12(4)6-2)9-10-15(14)19-16/h9-12,16-18H,5-8H2,1-4H3
InChIKeyHSSFZCQDBJNQKE-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107667198
5-ethoxy-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049821
2-ethyl-5-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64662426
N-ethyl-7-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83048808
N-ethyl-6,7-difluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049623
4-butan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol
CID 59095378
N-methoxy-5-(2-methoxyethyl)-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049127
5-butan-2-yl-2-propan-2-yloxy-1,3-benzodioxole
CID 142309903
6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173
N-ethyl-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 43512441
6-bromo-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83048942
N-methyl-6-propyl-6,7-dihydrofuro[2,3-f][1,3]benzodioxol-7-amine
CID 83050298

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-butan-2-yl-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 107667200) is 5-butan-2-yl-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-butan-2-yl-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-butan-2-yl-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCC1Oc2ccc(C(C)CC)cc2C1NCC.
What is the InChIKey of 5-butan-2-yl-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is HSSFZCQDBJNQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-8-16-17(18-7-3)14-11-13(12(4)6-2)9-10-15(14)19-16/h9-12,16-18H,5-8H2,1-4H3.
What are the key properties of 5-butan-2-yl-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
5-butan-2-yl-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 261.41 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 107667200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).