2-[4-[2-(methylamino)propan-2-yl]phenyl]propan-2-ol

C13H21NO — CID 71218460

IUPAC2-[4-[2-(methylamino)propan-2-yl]phenyl]propan-2-ol
SMILESCNC(C)(C)c1ccc(C(C)(C)O)cc1
InChIInChI=1S/C13H21NO/c1-12(2,14-5)10-6-8-11(9-7-10)13(3,4)15/h6-9,14-15H,1-5H3
InChIKeyCUBICCDQGMWAAC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.37
Rot. Bonds3

About 2-[4-[2-(methylamino)propan-2-yl]phenyl]propan-2-ol

2-[4-[2-(methylamino)propan-2-yl]phenyl]propan-2-ol (PubChem CID 71218460) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[4-[2-(methylamino)propan-2-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[2-(methylamino)propan-2-yl]phenyl]propan-2-ol
PubChem CID71218460
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-[4-[2-(methylamino)propan-2-yl]phenyl]propan-2-ol
SMILESCNC(C)(C)c1ccc(C(C)(C)O)cc1
InChIInChI=1S/C13H21NO/c1-12(2,14-5)10-6-8-11(9-7-10)13(3,4)15/h6-9,14-15H,1-5H3
InChIKeyCUBICCDQGMWAAC-UHFFFAOYSA-N
XLogP2.37
TPSA32.26 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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(methylamino)propan-2-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[4-[2-(methylamino)propan-2-yl]phenyl]propan-2-ol (CID 71218460) is 2-[4-[2-(methylamino)propan-2-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[2-(methylamino)propan-2-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[4-[2-(methylamino)propan-2-yl]phenyl]propan-2-ol is CNC(C)(C)c1ccc(C(C)(C)O)cc1.
What is the InChIKey of 2-[4-[2-(methylamino)propan-2-yl]phenyl]propan-2-ol?
The InChIKey is CUBICCDQGMWAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-12(2,14-5)10-6-8-11(9-7-10)13(3,4)15/h6-9,14-15H,1-5H3.
What are the key properties of 2-[4-[2-(methylamino)propan-2-yl]phenyl]propan-2-ol?
2-[4-[2-(methylamino)propan-2-yl]phenyl]propan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(methylamino)propan-2-yl]phenyl]propan-2-ol is sourced from PubChem (CID 71218460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).