2-(2-aminoethyl)-4-(2,2-dimethylpropyl)phenol

C13H21NO — CID 117296802

IUPAC2-(2-aminoethyl)-4-(2,2-dimethylpropyl)phenol
SMILESCC(C)(C)Cc1ccc(O)c(CCN)c1
InChIInChI=1S/C13H21NO/c1-13(2,3)9-10-4-5-12(15)11(8-10)6-7-14/h4-5,8,15H,6-7,9,14H2,1-3H3
InChIKeyLEWOUOXKTIRFHC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.48
Rot. Bonds3

About 2-(2-aminoethyl)-4-(2,2-dimethylpropyl)phenol

2-(2-aminoethyl)-4-(2,2-dimethylpropyl)phenol (PubChem CID 117296802) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-(2,2-dimethylpropyl)phenol.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-(2,2-dimethylpropyl)phenol
PubChem CID117296802
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(2-aminoethyl)-4-(2,2-dimethylpropyl)phenol
SMILESCC(C)(C)Cc1ccc(O)c(CCN)c1
InChIInChI=1S/C13H21NO/c1-13(2,3)9-10-4-5-12(15)11(8-10)6-7-14/h4-5,8,15H,6-7,9,14H2,1-3H3
InChIKeyLEWOUOXKTIRFHC-UHFFFAOYSA-N
XLogP2.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-(2,2-dimethylpropyl)phenol?
The IUPAC name of 2-(2-aminoethyl)-4-(2,2-dimethylpropyl)phenol (CID 117296802) is 2-(2-aminoethyl)-4-(2,2-dimethylpropyl)phenol.
What is the SMILES notation for 2-(2-aminoethyl)-4-(2,2-dimethylpropyl)phenol?
The canonical SMILES for 2-(2-aminoethyl)-4-(2,2-dimethylpropyl)phenol is CC(C)(C)Cc1ccc(O)c(CCN)c1.
What is the InChIKey of 2-(2-aminoethyl)-4-(2,2-dimethylpropyl)phenol?
The InChIKey is LEWOUOXKTIRFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2,3)9-10-4-5-12(15)11(8-10)6-7-14/h4-5,8,15H,6-7,9,14H2,1-3H3.
What are the key properties of 2-(2-aminoethyl)-4-(2,2-dimethylpropyl)phenol?
2-(2-aminoethyl)-4-(2,2-dimethylpropyl)phenol has a molecular weight of 207.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-(2,2-dimethylpropyl)phenol is sourced from PubChem (CID 117296802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).