3-[di(cyclobutyl)amino]phenol

C14H19NO — CID 175178677

IUPAC3-[di(cyclobutyl)amino]phenol
SMILESOc1cccc(N(C2CCC2)C2CCC2)c1
InChIInChI=1S/C14H19NO/c16-14-9-3-8-13(10-14)15(11-4-1-5-11)12-6-2-7-12/h3,8-12,16H,1-2,4-7H2
InChIKeyVRSAVQVGQJNJEQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.30
Rot. Bonds3

About 3-[di(cyclobutyl)amino]phenol

3-[di(cyclobutyl)amino]phenol (PubChem CID 175178677) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[di(cyclobutyl)amino]phenol.

Molecular Properties

Compound Name3-[di(cyclobutyl)amino]phenol
PubChem CID175178677
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-[di(cyclobutyl)amino]phenol
SMILESOc1cccc(N(C2CCC2)C2CCC2)c1
InChIInChI=1S/C14H19NO/c16-14-9-3-8-13(10-14)15(11-4-1-5-11)12-6-2-7-12/h3,8-12,16H,1-2,4-7H2
InChIKeyVRSAVQVGQJNJEQ-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[di(cyclobutyl)amino]phenol?
The IUPAC name of 3-[di(cyclobutyl)amino]phenol (CID 175178677) is 3-[di(cyclobutyl)amino]phenol.
What is the SMILES notation for 3-[di(cyclobutyl)amino]phenol?
The canonical SMILES for 3-[di(cyclobutyl)amino]phenol is Oc1cccc(N(C2CCC2)C2CCC2)c1.
What is the InChIKey of 3-[di(cyclobutyl)amino]phenol?
The InChIKey is VRSAVQVGQJNJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c16-14-9-3-8-13(10-14)15(11-4-1-5-11)12-6-2-7-12/h3,8-12,16H,1-2,4-7H2.
What are the key properties of 3-[di(cyclobutyl)amino]phenol?
3-[di(cyclobutyl)amino]phenol has a molecular weight of 217.31 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(cyclobutyl)amino]phenol is sourced from PubChem (CID 175178677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).