2-methyl-2-[(4-methylphenyl)methylamino]propan-1-ol

C12H19NO — CID 834066

IUPAC2-methyl-2-[(4-methylphenyl)methylamino]propan-1-ol
SMILESCc1ccc(CNC(C)(C)CO)cc1
InChIInChI=1S/C12H19NO/c1-10-4-6-11(7-5-10)8-13-12(2,3)9-14/h4-7,13-14H,8-9H2,1-3H3
InChIKeyTWIWDQNNJMTKLQ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.86
Rot. Bonds4

About 2-methyl-2-[(4-methylphenyl)methylamino]propan-1-ol

2-methyl-2-[(4-methylphenyl)methylamino]propan-1-ol (PubChem CID 834066) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-methyl-2-[(4-methylphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(4-methylphenyl)methylamino]propan-1-ol
PubChem CID834066
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-methyl-2-[(4-methylphenyl)methylamino]propan-1-ol
SMILESCc1ccc(CNC(C)(C)CO)cc1
InChIInChI=1S/C12H19NO/c1-10-4-6-11(7-5-10)8-13-12(2,3)9-14/h4-7,13-14H,8-9H2,1-3H3
InChIKeyTWIWDQNNJMTKLQ-UHFFFAOYSA-N
XLogP1.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-methylphenyl)methylamino]propan-1-ol?
The IUPAC name of 2-methyl-2-[(4-methylphenyl)methylamino]propan-1-ol (CID 834066) is 2-methyl-2-[(4-methylphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(4-methylphenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(4-methylphenyl)methylamino]propan-1-ol is Cc1ccc(CNC(C)(C)CO)cc1.
What is the InChIKey of 2-methyl-2-[(4-methylphenyl)methylamino]propan-1-ol?
The InChIKey is TWIWDQNNJMTKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-4-6-11(7-5-10)8-13-12(2,3)9-14/h4-7,13-14H,8-9H2,1-3H3.
What are the key properties of 2-methyl-2-[(4-methylphenyl)methylamino]propan-1-ol?
2-methyl-2-[(4-methylphenyl)methylamino]propan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-methylphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 834066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).