(tert-butylamino)-(3,4-difluorophenyl)methanol

C11H15F2NO — CID 171384426

IUPAC(tert-butylamino)-(3,4-difluorophenyl)methanol
SMILESCC(C)(C)NC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NO/c1-11(2,3)14-10(15)7-4-5-8(12)9(13)6-7/h4-6,10,14-15H,1-3H3
InChIKeySJDGOHYRBOLLKR-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.34
Rot. Bonds2

About (tert-butylamino)-(3,4-difluorophenyl)methanol

(tert-butylamino)-(3,4-difluorophenyl)methanol (PubChem CID 171384426) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is (tert-butylamino)-(3,4-difluorophenyl)methanol.

Molecular Properties

Compound Name(tert-butylamino)-(3,4-difluorophenyl)methanol
PubChem CID171384426
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name(tert-butylamino)-(3,4-difluorophenyl)methanol
SMILESCC(C)(C)NC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NO/c1-11(2,3)14-10(15)7-4-5-8(12)9(13)6-7/h4-6,10,14-15H,1-3H3
InChIKeySJDGOHYRBOLLKR-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (tert-butylamino)-(3,4-difluorophenyl)methanol?
The IUPAC name of (tert-butylamino)-(3,4-difluorophenyl)methanol (CID 171384426) is (tert-butylamino)-(3,4-difluorophenyl)methanol.
What is the SMILES notation for (tert-butylamino)-(3,4-difluorophenyl)methanol?
The canonical SMILES for (tert-butylamino)-(3,4-difluorophenyl)methanol is CC(C)(C)NC(O)c1ccc(F)c(F)c1.
What is the InChIKey of (tert-butylamino)-(3,4-difluorophenyl)methanol?
The InChIKey is SJDGOHYRBOLLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-11(2,3)14-10(15)7-4-5-8(12)9(13)6-7/h4-6,10,14-15H,1-3H3.
What are the key properties of (tert-butylamino)-(3,4-difluorophenyl)methanol?
(tert-butylamino)-(3,4-difluorophenyl)methanol has a molecular weight of 215.24 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (tert-butylamino)-(3,4-difluorophenyl)methanol is sourced from PubChem (CID 171384426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).