4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]phenol

C14H21NO — CID 79358978

IUPAC4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]phenol
SMILESCC1(C)C(NCc2ccc(O)cc2)C1(C)C
InChIInChI=1S/C14H21NO/c1-13(2)12(14(13,3)4)15-9-10-5-7-11(16)8-6-10/h5-8,12,15-16H,9H2,1-4H3
InChIKeyRVAAQBHONMAURP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.92
Rot. Bonds3

About 4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]phenol

4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]phenol (PubChem CID 79358978) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]phenol
PubChem CID79358978
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]phenol
SMILESCC1(C)C(NCc2ccc(O)cc2)C1(C)C
InChIInChI=1S/C14H21NO/c1-13(2)12(14(13,3)4)15-9-10-5-7-11(16)8-6-10/h5-8,12,15-16H,9H2,1-4H3
InChIKeyRVAAQBHONMAURP-UHFFFAOYSA-N
XLogP2.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]phenol?
The IUPAC name of 4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]phenol (CID 79358978) is 4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]phenol?
The canonical SMILES for 4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]phenol is CC1(C)C(NCc2ccc(O)cc2)C1(C)C.
What is the InChIKey of 4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]phenol?
The InChIKey is RVAAQBHONMAURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-13(2)12(14(13,3)4)15-9-10-5-7-11(16)8-6-10/h5-8,12,15-16H,9H2,1-4H3.
What are the key properties of 4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]phenol?
4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]phenol has a molecular weight of 219.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]phenol is sourced from PubChem (CID 79358978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).