2-(azepan-1-yl)-2-phenylethanol

C14H21NO — CID 24192

IUPAC2-(azepan-1-yl)-2-phenylethanol
SMILESOCC(c1ccccc1)N1CCCCCC1
InChIInChI=1S/C14H21NO/c16-12-14(13-8-4-3-5-9-13)15-10-6-1-2-7-11-15/h3-5,8-9,14,16H,1-2,6-7,10-12H2
InChIKeyBDEMAQMSIJJOEY-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.60
Rot. Bonds3

About 2-(azepan-1-yl)-2-phenylethanol

2-(azepan-1-yl)-2-phenylethanol (PubChem CID 24192) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(azepan-1-yl)-2-phenylethanol.

Molecular Properties

Compound Name2-(azepan-1-yl)-2-phenylethanol
PubChem CID24192
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(azepan-1-yl)-2-phenylethanol
SMILESOCC(c1ccccc1)N1CCCCCC1
InChIInChI=1S/C14H21NO/c16-12-14(13-8-4-3-5-9-13)15-10-6-1-2-7-11-15/h3-5,8-9,14,16H,1-2,6-7,10-12H2
InChIKeyBDEMAQMSIJJOEY-UHFFFAOYSA-N
XLogP2.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-2-phenylethanol?
The IUPAC name of 2-(azepan-1-yl)-2-phenylethanol (CID 24192) is 2-(azepan-1-yl)-2-phenylethanol.
What is the SMILES notation for 2-(azepan-1-yl)-2-phenylethanol?
The canonical SMILES for 2-(azepan-1-yl)-2-phenylethanol is OCC(c1ccccc1)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-2-phenylethanol?
The InChIKey is BDEMAQMSIJJOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c16-12-14(13-8-4-3-5-9-13)15-10-6-1-2-7-11-15/h3-5,8-9,14,16H,1-2,6-7,10-12H2.
What are the key properties of 2-(azepan-1-yl)-2-phenylethanol?
2-(azepan-1-yl)-2-phenylethanol has a molecular weight of 219.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-2-phenylethanol is sourced from PubChem (CID 24192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).