4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol

C13H19F2NO — CID 82975285

IUPAC4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol
SMILESCCCCN(CC)Cc1cc(F)c(O)c(F)c1
InChIInChI=1S/C13H19F2NO/c1-3-5-6-16(4-2)9-10-7-11(14)13(17)12(15)8-10/h7-8,17H,3-6,9H2,1-2H3
InChIKeyRSQFTTYBCIIVIU-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.29
Rot. Bonds6

About 4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol

4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol (PubChem CID 82975285) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol
PubChem CID82975285
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol
SMILESCCCCN(CC)Cc1cc(F)c(O)c(F)c1
InChIInChI=1S/C13H19F2NO/c1-3-5-6-16(4-2)9-10-7-11(14)13(17)12(15)8-10/h7-8,17H,3-6,9H2,1-2H3
InChIKeyRSQFTTYBCIIVIU-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-diethylphenyl)methyl]-N-ethylbutan-1-amine
CID 157340132
3-[[butyl(ethyl)amino]methyl]-5-fluoroaniline
CID 112645909
N-[(3-bromo-4-fluorophenyl)methyl]-N-ethylbutan-1-amine
CID 55220419
4-[[3-(diethylamino)propyl-ethylamino]methyl]-2,6-dimethylphenol
CID 102999125
methyl 4-[[butyl(ethyl)amino]methyl]-2-fluorobenzoate
CID 103749211
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylbutan-1-amine
CID 114011928
4-bromo-3-[[butyl(ethyl)amino]methyl]phenol
CID 82974913
4-[(dimethylamino)methyl]-2,6-difluorophenol
CID 82977010
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylbutan-1-amine
CID 106268403
N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine
CID 6422133
5,11,17,23-tetrakis[(dihexylamino)methyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
CID 132507482
2-[butyl-[(3,5-dibromo-4-hydroxyphenyl)methyl]amino]acetamide
CID 107740264

Frequently Asked Questions

What is the IUPAC name of 4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol?
The IUPAC name of 4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol (CID 82975285) is 4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol?
The canonical SMILES for 4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol is CCCCN(CC)Cc1cc(F)c(O)c(F)c1.
What is the InChIKey of 4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol?
The InChIKey is RSQFTTYBCIIVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-3-5-6-16(4-2)9-10-7-11(14)13(17)12(15)8-10/h7-8,17H,3-6,9H2,1-2H3.
What are the key properties of 4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol?
4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol has a molecular weight of 243.30 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol is sourced from PubChem (CID 82975285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).