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

C16H25NO — CID 64662426

IUPAC2-ethyl-5-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2cc(C(C)C)ccc2OC1CC
InChIInChI=1S/C16H25NO/c1-5-9-17-16-13-10-12(11(3)4)7-8-15(13)18-14(16)6-2/h7-8,10-11,14,16-17H,5-6,9H2,1-4H3
InChIKeyBQTSBPNSSFFOOV-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.02
Rot. Bonds5

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

2-ethyl-5-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 64662426) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-ethyl-5-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name2-ethyl-5-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID64662426
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-ethyl-5-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2cc(C(C)C)ccc2OC1CC
InChIInChI=1S/C16H25NO/c1-5-9-17-16-13-10-12(11(3)4)7-8-15(13)18-14(16)6-2/h7-8,10-11,14,16-17H,5-6,9H2,1-4H3
InChIKeyBQTSBPNSSFFOOV-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.02
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
2-ethyl-5,6-dimethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64661620
5-butan-2-yl-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107667200
5-bromo-2-ethyl-6-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 113304917
5-chloro-N,2-diethyl-2,3-dihydro-1-benzofuran-3-amine
CID 64663227
2-ethyl-7-iodo-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64663645
5,7-dibromo-2-ethyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64720848
5-bromo-N-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049616
7-bromo-2-ethyl-5-fluoro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 64661426
5-bromo-6-fluoro-N,2-dipropyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049037
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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 2-ethyl-5-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 64662426) is 2-ethyl-5-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 2-ethyl-5-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 2-ethyl-5-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCNC1c2cc(C(C)C)ccc2OC1CC.
What is the InChIKey of 2-ethyl-5-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is BQTSBPNSSFFOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-9-17-16-13-10-12(11(3)4)7-8-15(13)18-14(16)6-2/h7-8,10-11,14,16-17H,5-6,9H2,1-4H3.
What are the key properties of 2-ethyl-5-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
2-ethyl-5-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 247.38 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propan-2-yl-N-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 64662426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).