(1S)-2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol

C16H23NO2 — CID 11448378

IUPAC(1S)-2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol
SMILESCCc1cccc2cc([C@@H](O)CNC(C)(C)C)oc12
InChIInChI=1S/C16H23NO2/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4/h6-9,13,17-18H,5,10H2,1-4H3/t13-/m0/s1
InChIKeySSEBTPPFLLCUMN-ZDUSSCGKSA-N
MW261.36 g/mol
LogP3.42
Rot. Bonds4

About (1S)-2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol

(1S)-2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol (PubChem CID 11448378) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (1S)-2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol
PubChem CID11448378
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(1S)-2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol
SMILESCCc1cccc2cc([C@@H](O)CNC(C)(C)C)oc12
InChIInChI=1S/C16H23NO2/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4/h6-9,13,17-18H,5,10H2,1-4H3/t13-/m0/s1
InChIKeySSEBTPPFLLCUMN-ZDUSSCGKSA-N
XLogP3.42
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol?
The IUPAC name of (1S)-2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol (CID 11448378) is (1S)-2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for (1S)-2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol?
The canonical SMILES for (1S)-2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol is CCc1cccc2cc([C@@H](O)CNC(C)(C)C)oc12.
What is the InChIKey of (1S)-2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol?
The InChIKey is SSEBTPPFLLCUMN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4/h6-9,13,17-18H,5,10H2,1-4H3/t13-/m0/s1.
What are the key properties of (1S)-2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol?
(1S)-2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol has a molecular weight of 261.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 11448378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).