(4-tert-butylphenyl)-(dimethylamino)methanol

C13H21NO — CID 116909511

IUPAC(4-tert-butylphenyl)-(dimethylamino)methanol
SMILESCN(C)C(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H21NO/c1-13(2,3)11-8-6-10(7-9-11)12(15)14(4)5/h6-9,12,15H,1-5H3
InChIKeyCSABVGMXZYMRFU-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.54
Rot. Bonds2

About (4-tert-butylphenyl)-(dimethylamino)methanol

(4-tert-butylphenyl)-(dimethylamino)methanol (PubChem CID 116909511) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(dimethylamino)methanol.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(dimethylamino)methanol
PubChem CID116909511
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(4-tert-butylphenyl)-(dimethylamino)methanol
SMILESCN(C)C(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H21NO/c1-13(2,3)11-8-6-10(7-9-11)12(15)14(4)5/h6-9,12,15H,1-5H3
InChIKeyCSABVGMXZYMRFU-UHFFFAOYSA-N
XLogP2.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.54
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

1,2-bis(4-tert-butylphenyl)ethane-1,2-diol
CID 21199328
(1R)-1-(4-tert-butylphenyl)ethanol
CID 6990572
(1R,3R)-1,3-bis(4-tert-butylphenyl)propane-1,3-diol
CID 177450380
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
(4-tert-butylphenyl)-[1-(dimethylamino)cyclopentyl]methanol
CID 79067862
2-(4-tert-butylphenyl)-2-hydroxyacetic acid
CID 20532744
(R)-(4-tert-butylphenyl)-(4-fluorophenyl)methanol
CID 7146431
(1S)-2-bromo-1-(4-tert-butylphenyl)ethanol
CID 83000693
2-bromo-1-(4-tert-butylphenyl)ethanol
CID 79021934
1-(4-tert-butylphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanol
CID 63471529
(2S)-2-amino-2-(4-tert-butylphenyl)-N,N-dimethylacetamide
CID 95180326
2-(4-tert-butylphenyl)-3-(dimethylamino)propan-1-ol
CID 59446202

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(dimethylamino)methanol?
The IUPAC name of (4-tert-butylphenyl)-(dimethylamino)methanol (CID 116909511) is (4-tert-butylphenyl)-(dimethylamino)methanol.
What is the SMILES notation for (4-tert-butylphenyl)-(dimethylamino)methanol?
The canonical SMILES for (4-tert-butylphenyl)-(dimethylamino)methanol is CN(C)C(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(dimethylamino)methanol?
The InChIKey is CSABVGMXZYMRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2,3)11-8-6-10(7-9-11)12(15)14(4)5/h6-9,12,15H,1-5H3.
What are the key properties of (4-tert-butylphenyl)-(dimethylamino)methanol?
(4-tert-butylphenyl)-(dimethylamino)methanol has a molecular weight of 207.32 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(dimethylamino)methanol is sourced from PubChem (CID 116909511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).