2,6-difluoro-4-[(hexan-2-ylamino)methyl]phenol

C13H19F2NO — CID 79891666

IUPAC2,6-difluoro-4-[(hexan-2-ylamino)methyl]phenol
SMILESCCCCC(C)NCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C13H19F2NO/c1-3-4-5-9(2)16-8-10-6-11(14)13(17)12(15)7-10/h6-7,9,16-17H,3-5,8H2,1-2H3
InChIKeyMRDYLTQWPQGSCD-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.34
Rot. Bonds6

About 2,6-difluoro-4-[(hexan-2-ylamino)methyl]phenol

2,6-difluoro-4-[(hexan-2-ylamino)methyl]phenol (PubChem CID 79891666) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 2,6-difluoro-4-[(hexan-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[(hexan-2-ylamino)methyl]phenol
PubChem CID79891666
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name2,6-difluoro-4-[(hexan-2-ylamino)methyl]phenol
SMILESCCCCC(C)NCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C13H19F2NO/c1-3-4-5-9(2)16-8-10-6-11(14)13(17)12(15)7-10/h6-7,9,16-17H,3-5,8H2,1-2H3
InChIKeyMRDYLTQWPQGSCD-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-4-[(heptan-2-ylamino)methyl]phenol
CID 79831410
2,6-difluoro-4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]phenol
CID 103854738
2-fluoro-4-[(hexan-2-ylamino)methyl]phenol
CID 115722402
2-fluoro-4-[(heptan-2-ylamino)methyl]phenol
CID 103784673
2,6-difluoro-4-[(4,4,4-trifluorobutan-2-ylamino)methyl]phenol
CID 113461577
4-[(hexan-2-ylamino)methyl]benzene-1,2-diol
CID 62196921
2-fluoro-5-[(hexan-2-ylamino)methyl]benzonitrile
CID 114012120
2,6-difluoro-4-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
CID 103924370
2,6-difluoro-4-[(octylamino)methyl]phenol
CID 115566997
N-[(2,5-difluorophenyl)methyl]hexan-2-amine
CID 62196749
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
N-[[3-(difluoromethyl)phenyl]methyl]hexan-2-amine
CID 115526455

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[(hexan-2-ylamino)methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[(hexan-2-ylamino)methyl]phenol (CID 79891666) is 2,6-difluoro-4-[(hexan-2-ylamino)methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[(hexan-2-ylamino)methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[(hexan-2-ylamino)methyl]phenol is CCCCC(C)NCc1cc(F)c(O)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-[(hexan-2-ylamino)methyl]phenol?
The InChIKey is MRDYLTQWPQGSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-3-4-5-9(2)16-8-10-6-11(14)13(17)12(15)7-10/h6-7,9,16-17H,3-5,8H2,1-2H3.
What are the key properties of 2,6-difluoro-4-[(hexan-2-ylamino)methyl]phenol?
2,6-difluoro-4-[(hexan-2-ylamino)methyl]phenol has a molecular weight of 243.30 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[(hexan-2-ylamino)methyl]phenol is sourced from PubChem (CID 79891666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).