2-methyl-1-[4-(propan-2-ylamino)phenyl]propan-2-ol

C13H21NO — CID 91068472

IUPAC2-methyl-1-[4-(propan-2-ylamino)phenyl]propan-2-ol
SMILESCC(C)Nc1ccc(CC(C)(C)O)cc1
InChIInChI=1S/C13H21NO/c1-10(2)14-12-7-5-11(6-8-12)9-13(3,4)15/h5-8,10,14-15H,9H2,1-4H3
InChIKeyUDMYTPFEBFVYGR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.82
Rot. Bonds4

About 2-methyl-1-[4-(propan-2-ylamino)phenyl]propan-2-ol

2-methyl-1-[4-(propan-2-ylamino)phenyl]propan-2-ol (PubChem CID 91068472) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methyl-1-[4-(propan-2-ylamino)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-(propan-2-ylamino)phenyl]propan-2-ol
PubChem CID91068472
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-methyl-1-[4-(propan-2-ylamino)phenyl]propan-2-ol
SMILESCC(C)Nc1ccc(CC(C)(C)O)cc1
InChIInChI=1S/C13H21NO/c1-10(2)14-12-7-5-11(6-8-12)9-13(3,4)15/h5-8,10,14-15H,9H2,1-4H3
InChIKeyUDMYTPFEBFVYGR-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(R,S/S,R)-syn-1-(methyl(p-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
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(alphaS)-alpha-Methyl-4-((2-methyl-2-propen-1-yl)amino)benzeneacetic acid
CID 69305006
1,1,1,3,3,3-Hexafluoro-2-{4-[(2,2,2-trifluoroethyl)amino]phenyl}propan-2-ol
CID 447911
(R,S/S,R)-syn-3-amino-1-(methyl(phenyl)amino)-1-phenylpropan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(propan-2-ylamino)phenyl]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-(propan-2-ylamino)phenyl]propan-2-ol (CID 91068472) is 2-methyl-1-[4-(propan-2-ylamino)phenyl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-(propan-2-ylamino)phenyl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-(propan-2-ylamino)phenyl]propan-2-ol is CC(C)Nc1ccc(CC(C)(C)O)cc1.
What is the InChIKey of 2-methyl-1-[4-(propan-2-ylamino)phenyl]propan-2-ol?
The InChIKey is UDMYTPFEBFVYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)14-12-7-5-11(6-8-12)9-13(3,4)15/h5-8,10,14-15H,9H2,1-4H3.
What are the key properties of 2-methyl-1-[4-(propan-2-ylamino)phenyl]propan-2-ol?
2-methyl-1-[4-(propan-2-ylamino)phenyl]propan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(propan-2-ylamino)phenyl]propan-2-ol is sourced from PubChem (CID 91068472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).