[N-methyl-4-(2-methylpropyl)anilino]methanol

C12H19NO — CID 115228791

IUPAC[N-methyl-4-(2-methylpropyl)anilino]methanol
SMILESCC(C)Cc1ccc(N(C)CO)cc1
InChIInChI=1S/C12H19NO/c1-10(2)8-11-4-6-12(7-5-11)13(3)9-14/h4-7,10,14H,8-9H2,1-3H3
InChIKeySOCUHPMRRNJSFY-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.27
Rot. Bonds4

About [N-methyl-4-(2-methylpropyl)anilino]methanol

[N-methyl-4-(2-methylpropyl)anilino]methanol (PubChem CID 115228791) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is [N-methyl-4-(2-methylpropyl)anilino]methanol.

Molecular Properties

Compound Name[N-methyl-4-(2-methylpropyl)anilino]methanol
PubChem CID115228791
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name[N-methyl-4-(2-methylpropyl)anilino]methanol
SMILESCC(C)Cc1ccc(N(C)CO)cc1
InChIInChI=1S/C12H19NO/c1-10(2)8-11-4-6-12(7-5-11)13(3)9-14/h4-7,10,14H,8-9H2,1-3H3
InChIKeySOCUHPMRRNJSFY-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[N-methyl-4-(2-methylpropyl)anilino]propan-2-ol
CID 115136839
2-[N-methyl-4-(2-methylpropyl)anilino]ethanethiol
CID 115223767
[3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol
CID 115248876
2-hydroxy-N-methyl-N-[4-(2-methylpropyl)phenyl]acetamide
CID 115139668
4-(2-methylpropyl)-N-[4-(2-methylpropyl)phenyl]-N-propan-2-ylaniline
CID 170058687
4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline
CID 139610100
N-methyl-N-[4-(2-methylpropyl)phenyl]carbamoyl chloride
CID 115194464
4-[[N-methyl-4-(2-methylpropyl)anilino]methyl]benzaldehyde
CID 87614730
2-[[N-methyl-4-(2-methylpropyl)anilino]methyl]butanenitrile
CID 115253625
4-[N-methyl-4-(2-methylpropyl)anilino]cyclohexan-1-ol
CID 115149409
2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]ethanol
CID 110921350
N-methyl-4-(2-methylpropyl)-N-(piperidin-4-ylmethyl)aniline
CID 115209862

Frequently Asked Questions

What is the IUPAC name of [N-methyl-4-(2-methylpropyl)anilino]methanol?
The IUPAC name of [N-methyl-4-(2-methylpropyl)anilino]methanol (CID 115228791) is [N-methyl-4-(2-methylpropyl)anilino]methanol.
What is the SMILES notation for [N-methyl-4-(2-methylpropyl)anilino]methanol?
The canonical SMILES for [N-methyl-4-(2-methylpropyl)anilino]methanol is CC(C)Cc1ccc(N(C)CO)cc1.
What is the InChIKey of [N-methyl-4-(2-methylpropyl)anilino]methanol?
The InChIKey is SOCUHPMRRNJSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(2)8-11-4-6-12(7-5-11)13(3)9-14/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of [N-methyl-4-(2-methylpropyl)anilino]methanol?
[N-methyl-4-(2-methylpropyl)anilino]methanol has a molecular weight of 193.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [N-methyl-4-(2-methylpropyl)anilino]methanol is sourced from PubChem (CID 115228791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).