4-(2-methylazepan-2-yl)phenol

C13H19NO — CID 115059442

IUPAC4-(2-methylazepan-2-yl)phenol
SMILESCC1(c2ccc(O)cc2)CCCCCN1
InChIInChI=1S/C13H19NO/c1-13(9-3-2-4-10-14-13)11-5-7-12(15)8-6-11/h5-8,14-15H,2-4,9-10H2,1H3
InChIKeyCGSSGTWPDZIYAE-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.77
Rot. Bonds1

About 4-(2-methylazepan-2-yl)phenol

4-(2-methylazepan-2-yl)phenol (PubChem CID 115059442) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(2-methylazepan-2-yl)phenol.

Molecular Properties

Compound Name4-(2-methylazepan-2-yl)phenol
PubChem CID115059442
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(2-methylazepan-2-yl)phenol
SMILESCC1(c2ccc(O)cc2)CCCCCN1
InChIInChI=1S/C13H19NO/c1-13(9-3-2-4-10-14-13)11-5-7-12(15)8-6-11/h5-8,14-15H,2-4,9-10H2,1H3
InChIKeyCGSSGTWPDZIYAE-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylpyrrolidin-2-yl)phenol
CID 82599572
2-methyl-2-phenylpiperidine;hydrochloride
CID 115027708
4-(2-propan-2-ylpiperidin-2-yl)phenol
CID 115058712
2-(4-ethoxyphenyl)-2-methylpyrrolidine
CID 66467822
ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol
CID 144989464
3-(2-methylpiperidin-2-yl)pyridine
CID 23344429
2-(3-fluoro-5-methylphenyl)-2-methylazepane
CID 79704728
4-(2-propan-2-ylpyrrolidin-2-yl)phenol
CID 115058626
4-[1,2,2-tris(4-hydroxyphenyl)cyclododecyl]phenol
CID 174963277
4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol
CID 59289752
7-(2-methylazepan-2-yl)quinoline
CID 81231212
2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine
CID 117335007

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylazepan-2-yl)phenol?
The IUPAC name of 4-(2-methylazepan-2-yl)phenol (CID 115059442) is 4-(2-methylazepan-2-yl)phenol.
What is the SMILES notation for 4-(2-methylazepan-2-yl)phenol?
The canonical SMILES for 4-(2-methylazepan-2-yl)phenol is CC1(c2ccc(O)cc2)CCCCCN1.
What is the InChIKey of 4-(2-methylazepan-2-yl)phenol?
The InChIKey is CGSSGTWPDZIYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(9-3-2-4-10-14-13)11-5-7-12(15)8-6-11/h5-8,14-15H,2-4,9-10H2,1H3.
What are the key properties of 4-(2-methylazepan-2-yl)phenol?
4-(2-methylazepan-2-yl)phenol has a molecular weight of 205.30 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylazepan-2-yl)phenol is sourced from PubChem (CID 115059442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).