[4-[cyclobutylmethyl(methyl)amino]-3,5-difluorophenyl]methanol

C13H17F2NO — CID 63077755

IUPAC[4-[cyclobutylmethyl(methyl)amino]-3,5-difluorophenyl]methanol
SMILESCN(CC1CCC1)c1c(F)cc(CO)cc1F
InChIInChI=1S/C13H17F2NO/c1-16(7-9-3-2-4-9)13-11(14)5-10(8-17)6-12(13)15/h5-6,9,17H,2-4,7-8H2,1H3
InChIKeyQITAWLWGMRAZSQ-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.69
Rot. Bonds4

About [4-[cyclobutylmethyl(methyl)amino]-3,5-difluorophenyl]methanol

[4-[cyclobutylmethyl(methyl)amino]-3,5-difluorophenyl]methanol (PubChem CID 63077755) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is [4-[cyclobutylmethyl(methyl)amino]-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-[cyclobutylmethyl(methyl)amino]-3,5-difluorophenyl]methanol
PubChem CID63077755
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name[4-[cyclobutylmethyl(methyl)amino]-3,5-difluorophenyl]methanol
SMILESCN(CC1CCC1)c1c(F)cc(CO)cc1F
InChIInChI=1S/C13H17F2NO/c1-16(7-9-3-2-4-9)13-11(14)5-10(8-17)6-12(13)15/h5-6,9,17H,2-4,7-8H2,1H3
InChIKeyQITAWLWGMRAZSQ-UHFFFAOYSA-N
XLogP2.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[cyclobutylmethyl(methyl)amino]-3,5-difluorophenyl]methanol?
The IUPAC name of [4-[cyclobutylmethyl(methyl)amino]-3,5-difluorophenyl]methanol (CID 63077755) is [4-[cyclobutylmethyl(methyl)amino]-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-[cyclobutylmethyl(methyl)amino]-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-[cyclobutylmethyl(methyl)amino]-3,5-difluorophenyl]methanol is CN(CC1CCC1)c1c(F)cc(CO)cc1F.
What is the InChIKey of [4-[cyclobutylmethyl(methyl)amino]-3,5-difluorophenyl]methanol?
The InChIKey is QITAWLWGMRAZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-16(7-9-3-2-4-9)13-11(14)5-10(8-17)6-12(13)15/h5-6,9,17H,2-4,7-8H2,1H3.
What are the key properties of [4-[cyclobutylmethyl(methyl)amino]-3,5-difluorophenyl]methanol?
[4-[cyclobutylmethyl(methyl)amino]-3,5-difluorophenyl]methanol has a molecular weight of 241.28 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclobutylmethyl(methyl)amino]-3,5-difluorophenyl]methanol is sourced from PubChem (CID 63077755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).