amino-(3-tert-butyl-4-methoxyphenyl)methanol

C12H19NO2 — CID 116939595

IUPACamino-(3-tert-butyl-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(N)O)cc1C(C)(C)C
InChIInChI=1S/C12H19NO2/c1-12(2,3)9-7-8(11(13)14)5-6-10(9)15-4/h5-7,11,14H,13H2,1-4H3
InChIKeyFONSTIOVGOKLCN-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.94
Rot. Bonds2

About amino-(3-tert-butyl-4-methoxyphenyl)methanol

amino-(3-tert-butyl-4-methoxyphenyl)methanol (PubChem CID 116939595) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is amino-(3-tert-butyl-4-methoxyphenyl)methanol.

Molecular Properties

Compound Nameamino-(3-tert-butyl-4-methoxyphenyl)methanol
PubChem CID116939595
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nameamino-(3-tert-butyl-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(N)O)cc1C(C)(C)C
InChIInChI=1S/C12H19NO2/c1-12(2,3)9-7-8(11(13)14)5-6-10(9)15-4/h5-7,11,14H,13H2,1-4H3
InChIKeyFONSTIOVGOKLCN-UHFFFAOYSA-N
XLogP1.94
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-tert-butyl-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939282
1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine
CID 82048896
(3-tert-butyl-4-methoxyphenyl)-cyclopropylmethanol
CID 82049131
3-amino-3-(3-tert-butyl-4-methoxyphenyl)-2,2-dimethylpropanenitrile
CID 116940362
1-(3-tert-butyl-4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932438
1-(3-tert-butyl-4-methoxyphenyl)-3-(methylamino)propan-1-ol
CID 112510511
1-(3-tert-butyl-4-methoxyphenyl)-2-(ethylamino)ethanol
CID 112510497
1-(3-tert-butyl-4-methoxyphenyl)-1-methoxy-N-methylmethanamine
CID 116961454
2-[amino-(3-tert-butyl-4-methoxyphenyl)methyl]butanenitrile
CID 116946154
1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol
CID 116859135
2-(3-tert-butyl-4-methoxyphenyl)-4-methylpentan-1-amine
CID 112509381
2-(3-tert-butyl-4-methoxyphenyl)octane-4,5-diol
CID 83936816

Frequently Asked Questions

What is the IUPAC name of amino-(3-tert-butyl-4-methoxyphenyl)methanol?
The IUPAC name of amino-(3-tert-butyl-4-methoxyphenyl)methanol (CID 116939595) is amino-(3-tert-butyl-4-methoxyphenyl)methanol.
What is the SMILES notation for amino-(3-tert-butyl-4-methoxyphenyl)methanol?
The canonical SMILES for amino-(3-tert-butyl-4-methoxyphenyl)methanol is COc1ccc(C(N)O)cc1C(C)(C)C.
What is the InChIKey of amino-(3-tert-butyl-4-methoxyphenyl)methanol?
The InChIKey is FONSTIOVGOKLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,3)9-7-8(11(13)14)5-6-10(9)15-4/h5-7,11,14H,13H2,1-4H3.
What are the key properties of amino-(3-tert-butyl-4-methoxyphenyl)methanol?
amino-(3-tert-butyl-4-methoxyphenyl)methanol has a molecular weight of 209.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(3-tert-butyl-4-methoxyphenyl)methanol is sourced from PubChem (CID 116939595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).