2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol

C17H26FNO — CID 107685969

IUPAC2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
SMILESCC1(C)CC(NCc2ccc(O)c(F)c2)CC(C)(C)C1
InChIInChI=1S/C17H26FNO/c1-16(2)8-13(9-17(3,4)11-16)19-10-12-5-6-15(20)14(18)7-12/h5-7,13,19-20H,8-11H2,1-4H3
InChIKeyRFHIFNXHCHEAGP-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.23
Rot. Bonds3

About 2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol

2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol (PubChem CID 107685969) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
PubChem CID107685969
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
SMILESCC1(C)CC(NCc2ccc(O)c(F)c2)CC(C)(C)C1
InChIInChI=1S/C17H26FNO/c1-16(2)8-13(9-17(3,4)11-16)19-10-12-5-6-15(20)14(18)7-12/h5-7,13,19-20H,8-11H2,1-4H3
InChIKeyRFHIFNXHCHEAGP-UHFFFAOYSA-N
XLogP4.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112681857
2-fluoro-4-[(oxetan-3-ylamino)methyl]phenol
CID 103874812
N-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544151
4-[[(3,3-dimethylcyclopentyl)amino]methyl]-2-fluoroaniline
CID 114547589
4-[[(1-ethylpiperidin-4-yl)amino]methyl]-2-fluorophenol
CID 103784727
2-fluoro-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
CID 103784734
N-[[4-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965603
4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzene-1,2-diol
CID 28674803
N-[(4-chloro-2-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 114842619
N-[(3,4-difluorophenyl)methyl]-5,5-dimethylthian-3-amine
CID 79958969
N-[[3-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965604
4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol
CID 107685595

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol (CID 107685969) is 2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol is CC1(C)CC(NCc2ccc(O)c(F)c2)CC(C)(C)C1.
What is the InChIKey of 2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol?
The InChIKey is RFHIFNXHCHEAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-16(2)8-13(9-17(3,4)11-16)19-10-12-5-6-15(20)14(18)7-12/h5-7,13,19-20H,8-11H2,1-4H3.
What are the key properties of 2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol?
2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol has a molecular weight of 279.40 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 107685969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).