(4-tert-butyl-N,2,6-trimethylanilino)methanol

C14H23NO — CID 115228844

IUPAC(4-tert-butyl-N,2,6-trimethylanilino)methanol
SMILESCc1cc(C(C)(C)C)cc(C)c1N(C)CO
InChIInChI=1S/C14H23NO/c1-10-7-12(14(3,4)5)8-11(2)13(10)15(6)9-16/h7-8,16H,9H2,1-6H3
InChIKeyYVLJRDUEWMRQPP-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.99
Rot. Bonds2

About (4-tert-butyl-N,2,6-trimethylanilino)methanol

(4-tert-butyl-N,2,6-trimethylanilino)methanol (PubChem CID 115228844) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (4-tert-butyl-N,2,6-trimethylanilino)methanol.

Molecular Properties

Compound Name(4-tert-butyl-N,2,6-trimethylanilino)methanol
PubChem CID115228844
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(4-tert-butyl-N,2,6-trimethylanilino)methanol
SMILESCc1cc(C(C)(C)C)cc(C)c1N(C)CO
InChIInChI=1S/C14H23NO/c1-10-7-12(14(3,4)5)8-11(2)13(10)15(6)9-16/h7-8,16H,9H2,1-6H3
InChIKeyYVLJRDUEWMRQPP-UHFFFAOYSA-N
XLogP2.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-tert-butyl-2,6-dimethylphenyl)-methylcarbamic acid
CID 115170748
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
2-(5-tert-butyl-N,2-dimethylanilino)ethanol
CID 115216089
3-[(4-tert-butyl-2,6-dimethylphenyl)methyl-methylamino]propan-1-ol
CID 115216933
1-(4-tert-butyl-2,6-dimethylphenyl)-1,3-dimethylurea
CID 115169017
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 60686630
N,N'-bis(2,6-dimethylphenyl)-N,N',2,2-tetramethylpropane-1,3-diamine
CID 155394536
2-(4-tert-butyl-N,2,6-trimethylanilino)propanoic acid
CID 117041855
2-(4-tert-butyl-2,6-dimethylphenyl)sulfanylethanol
CID 116852669
1-N-(4-tert-butyl-2-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 115135802
2-(4-tert-butyl-2,6-dimethylphenyl)butan-1-ol
CID 116964129
ethyl N-(4-tert-butyl-2,6-dimethylphenyl)-N-ethylcarbamate
CID 134283843

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-N,2,6-trimethylanilino)methanol?
The IUPAC name of (4-tert-butyl-N,2,6-trimethylanilino)methanol (CID 115228844) is (4-tert-butyl-N,2,6-trimethylanilino)methanol.
What is the SMILES notation for (4-tert-butyl-N,2,6-trimethylanilino)methanol?
The canonical SMILES for (4-tert-butyl-N,2,6-trimethylanilino)methanol is Cc1cc(C(C)(C)C)cc(C)c1N(C)CO.
What is the InChIKey of (4-tert-butyl-N,2,6-trimethylanilino)methanol?
The InChIKey is YVLJRDUEWMRQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-7-12(14(3,4)5)8-11(2)13(10)15(6)9-16/h7-8,16H,9H2,1-6H3.
What are the key properties of (4-tert-butyl-N,2,6-trimethylanilino)methanol?
(4-tert-butyl-N,2,6-trimethylanilino)methanol has a molecular weight of 221.34 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-N,2,6-trimethylanilino)methanol is sourced from PubChem (CID 115228844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).