2,6-difluoro-4-[[(3-methylsulfanylcyclohexyl)amino]methyl]phenol

C14H19F2NOS — CID 103735291

IUPAC2,6-difluoro-4-[[(3-methylsulfanylcyclohexyl)amino]methyl]phenol
SMILESCSC1CCCC(NCc2cc(F)c(O)c(F)c2)C1
InChIInChI=1S/C14H19F2NOS/c1-19-11-4-2-3-10(7-11)17-8-9-5-12(15)14(18)13(16)6-9/h5-6,10-11,17-18H,2-4,7-8H2,1H3
InChIKeyNCXRODUVFHIJNP-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.43
Rot. Bonds4

About 2,6-difluoro-4-[[(3-methylsulfanylcyclohexyl)amino]methyl]phenol

2,6-difluoro-4-[[(3-methylsulfanylcyclohexyl)amino]methyl]phenol (PubChem CID 103735291) has the molecular formula C14H19F2NOS and a molecular weight of 287.38 g/mol. Its IUPAC name is 2,6-difluoro-4-[[(3-methylsulfanylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[(3-methylsulfanylcyclohexyl)amino]methyl]phenol
PubChem CID103735291
Molecular FormulaC14H19F2NOS
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name2,6-difluoro-4-[[(3-methylsulfanylcyclohexyl)amino]methyl]phenol
SMILESCSC1CCCC(NCc2cc(F)c(O)c(F)c2)C1
InChIInChI=1S/C14H19F2NOS/c1-19-11-4-2-3-10(7-11)17-8-9-5-12(15)14(18)13(16)6-9/h5-6,10-11,17-18H,2-4,7-8H2,1H3
InChIKeyNCXRODUVFHIJNP-UHFFFAOYSA-N
XLogP3.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
CID 113251438
2,6-difluoro-4-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 79831119
N-[(3-bromo-4-fluorophenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 113237893
N-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103675931
N-[(3-chloro-4-methylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 114122241
4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
CID 103953607
N-[(2,6-dimethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103908817
4-[[(1,1-dioxothian-4-yl)amino]methyl]-2,6-difluorophenol
CID 79891410
N-[(4-chlorothiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 107166367
N-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline
CID 63052431
N-(furan-2-ylmethyl)-3-methylsulfanylcyclohexan-1-amine
CID 115633827
4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline
CID 63051609

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[(3-methylsulfanylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[(3-methylsulfanylcyclohexyl)amino]methyl]phenol (CID 103735291) is 2,6-difluoro-4-[[(3-methylsulfanylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[(3-methylsulfanylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[(3-methylsulfanylcyclohexyl)amino]methyl]phenol is CSC1CCCC(NCc2cc(F)c(O)c(F)c2)C1.
What is the InChIKey of 2,6-difluoro-4-[[(3-methylsulfanylcyclohexyl)amino]methyl]phenol?
The InChIKey is NCXRODUVFHIJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NOS/c1-19-11-4-2-3-10(7-11)17-8-9-5-12(15)14(18)13(16)6-9/h5-6,10-11,17-18H,2-4,7-8H2,1H3.
What are the key properties of 2,6-difluoro-4-[[(3-methylsulfanylcyclohexyl)amino]methyl]phenol?
2,6-difluoro-4-[[(3-methylsulfanylcyclohexyl)amino]methyl]phenol has a molecular weight of 287.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[(3-methylsulfanylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 103735291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).