2-methyl-1-[N-methyl-4-(2-methylpropyl)anilino]propan-2-ol

C15H25NO — CID 115136839

IUPAC2-methyl-1-[N-methyl-4-(2-methylpropyl)anilino]propan-2-ol
SMILESCC(C)Cc1ccc(N(C)CC(C)(C)O)cc1
InChIInChI=1S/C15H25NO/c1-12(2)10-13-6-8-14(9-7-13)16(5)11-15(3,4)17/h6-9,12,17H,10-11H2,1-5H3
InChIKeyXFPWZDTWKBSSJB-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.09
Rot. Bonds5

About 2-methyl-1-[N-methyl-4-(2-methylpropyl)anilino]propan-2-ol

2-methyl-1-[N-methyl-4-(2-methylpropyl)anilino]propan-2-ol (PubChem CID 115136839) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-methyl-1-[N-methyl-4-(2-methylpropyl)anilino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[N-methyl-4-(2-methylpropyl)anilino]propan-2-ol
PubChem CID115136839
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-methyl-1-[N-methyl-4-(2-methylpropyl)anilino]propan-2-ol
SMILESCC(C)Cc1ccc(N(C)CC(C)(C)O)cc1
InChIInChI=1S/C15H25NO/c1-12(2)10-13-6-8-14(9-7-13)16(5)11-15(3,4)17/h6-9,12,17H,10-11H2,1-5H3
InChIKeyXFPWZDTWKBSSJB-UHFFFAOYSA-N
XLogP3.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[N-methyl-4-(2-methylpropyl)anilino]methanol
CID 115228791
2-[N-methyl-4-(2-methylpropyl)anilino]ethanethiol
CID 115223767
[3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol
CID 115248876
1-N,2-N,2-trimethyl-1-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine
CID 115222338
4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]-N-propan-2-ylaniline
CID 170058687
2-[4-(2-methylpropyl)phenyl]butan-2-ol
CID 91656197
2-hydroxy-N,2-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]propanamide
CID 115178830
4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline
CID 139610100
4-(2-aminobutyl)-N-(2,2-dimethylpropyl)-N-methylaniline
CID 55237009
N-methyl-N-[4-(2-methylpropyl)phenyl]carbamoyl chloride
CID 115194464
4-[[N-methyl-4-(2-methylpropyl)anilino]methyl]benzaldehyde
CID 87614730
(2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol
CID 97294137

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[N-methyl-4-(2-methylpropyl)anilino]propan-2-ol?
The IUPAC name of 2-methyl-1-[N-methyl-4-(2-methylpropyl)anilino]propan-2-ol (CID 115136839) is 2-methyl-1-[N-methyl-4-(2-methylpropyl)anilino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[N-methyl-4-(2-methylpropyl)anilino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[N-methyl-4-(2-methylpropyl)anilino]propan-2-ol is CC(C)Cc1ccc(N(C)CC(C)(C)O)cc1.
What is the InChIKey of 2-methyl-1-[N-methyl-4-(2-methylpropyl)anilino]propan-2-ol?
The InChIKey is XFPWZDTWKBSSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)10-13-6-8-14(9-7-13)16(5)11-15(3,4)17/h6-9,12,17H,10-11H2,1-5H3.
What are the key properties of 2-methyl-1-[N-methyl-4-(2-methylpropyl)anilino]propan-2-ol?
2-methyl-1-[N-methyl-4-(2-methylpropyl)anilino]propan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[N-methyl-4-(2-methylpropyl)anilino]propan-2-ol is sourced from PubChem (CID 115136839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).