2-(2-ethylhexylamino)-1-phenylethanol

C16H27NO — CID 3921826

IUPAC2-(2-ethylhexylamino)-1-phenylethanol
SMILESCCCCC(CC)CNCC(O)c1ccccc1
InChIInChI=1S/C16H27NO/c1-3-5-9-14(4-2)12-17-13-16(18)15-10-7-6-8-11-15/h6-8,10-11,14,16-18H,3-5,9,12-13H2,1-2H3
InChIKeyRTNFRRSZMYRUJK-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.53
Rot. Bonds9

About 2-(2-ethylhexylamino)-1-phenylethanol

2-(2-ethylhexylamino)-1-phenylethanol (PubChem CID 3921826) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(2-ethylhexylamino)-1-phenylethanol.

Molecular Properties

Compound Name2-(2-ethylhexylamino)-1-phenylethanol
PubChem CID3921826
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-(2-ethylhexylamino)-1-phenylethanol
SMILESCCCCC(CC)CNCC(O)c1ccccc1
InChIInChI=1S/C16H27NO/c1-3-5-9-14(4-2)12-17-13-16(18)15-10-7-6-8-11-15/h6-8,10-11,14,16-18H,3-5,9,12-13H2,1-2H3
InChIKeyRTNFRRSZMYRUJK-UHFFFAOYSA-N
XLogP3.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexylamino)-1-phenylethanol?
The IUPAC name of 2-(2-ethylhexylamino)-1-phenylethanol (CID 3921826) is 2-(2-ethylhexylamino)-1-phenylethanol.
What is the SMILES notation for 2-(2-ethylhexylamino)-1-phenylethanol?
The canonical SMILES for 2-(2-ethylhexylamino)-1-phenylethanol is CCCCC(CC)CNCC(O)c1ccccc1.
What is the InChIKey of 2-(2-ethylhexylamino)-1-phenylethanol?
The InChIKey is RTNFRRSZMYRUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-5-9-14(4-2)12-17-13-16(18)15-10-7-6-8-11-15/h6-8,10-11,14,16-18H,3-5,9,12-13H2,1-2H3.
What are the key properties of 2-(2-ethylhexylamino)-1-phenylethanol?
2-(2-ethylhexylamino)-1-phenylethanol has a molecular weight of 249.40 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexylamino)-1-phenylethanol is sourced from PubChem (CID 3921826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).