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

C17H27NO — CID 107667198

IUPAC5-butan-2-yl-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2cc(C(C)CC)ccc2OC1CC
InChIInChI=1S/C17H27NO/c1-5-10-18-17-14-11-13(12(4)6-2)8-9-16(14)19-15(17)7-3/h8-9,11-12,15,17-18H,5-7,10H2,1-4H3
InChIKeyPYLQDFBKWBZNCP-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.41
Rot. Bonds6

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

5-butan-2-yl-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 107667198) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID107667198
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name5-butan-2-yl-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2cc(C(C)CC)ccc2OC1CC
InChIInChI=1S/C17H27NO/c1-5-10-18-17-14-11-13(12(4)6-2)8-9-16(14)19-15(17)7-3/h8-9,11-12,15,17-18H,5-7,10H2,1-4H3
InChIKeyPYLQDFBKWBZNCP-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

2-ethyl-5-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64662426
5-butan-2-yl-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107667200
2-ethyl-5,6-dimethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64661620
5-bromo-2-ethyl-6-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 113304917
5-bromo-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049616
5,7-dibromo-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64720848
4-butan-2-ylbicyclo[4.2.0]octa-1(6),2,4-trien-7-ol
CID 59095378
5-bromo-6-fluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049037
7-bromo-2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64661426
5-bromo-7-chloro-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64662423
2-ethyl-N-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 81482053
5-ethoxy-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049821

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-butan-2-yl-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 107667198) is 5-butan-2-yl-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-butan-2-yl-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCNC1c2cc(C(C)CC)ccc2OC1CC.
What is the InChIKey of 5-butan-2-yl-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is PYLQDFBKWBZNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-10-18-17-14-11-13(12(4)6-2)8-9-16(14)19-15(17)7-3/h8-9,11-12,15,17-18H,5-7,10H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
5-butan-2-yl-2-ethyl-N-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-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 107667198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).