2-fluoro-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol

C17H26FNO — CID 115951251

IUPAC2-fluoro-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
SMILESCC1CCC(C(C)C)C(NCc2cccc(F)c2O)C1
InChIInChI=1S/C17H26FNO/c1-11(2)14-8-7-12(3)9-16(14)19-10-13-5-4-6-15(18)17(13)20/h4-6,11-12,14,16,19-20H,7-10H2,1-3H3
InChIKeyOTSQJIKBFBGGCW-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.08
Rot. Bonds4

About 2-fluoro-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol

2-fluoro-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol (PubChem CID 115951251) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-fluoro-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
PubChem CID115951251
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name2-fluoro-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
SMILESCC1CCC(C(C)C)C(NCc2cccc(F)c2O)C1
InChIInChI=1S/C17H26FNO/c1-11(2)14-8-7-12(3)9-16(14)19-10-13-5-4-6-15(18)17(13)20/h4-6,11-12,14,16,19-20H,7-10H2,1-3H3
InChIKeyOTSQJIKBFBGGCW-UHFFFAOYSA-N
XLogP4.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 115951249
2-fluoro-6-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 112607156
N-[(2,6-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710127
N-[(2,6-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710184
2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol
CID 83295501
N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 2728111
4-methoxy-2-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 43710025
(1R,2S,5R)-N-[(2,3-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992353
5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 60960720
2-fluoro-6-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenol
CID 115951364
5-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 43080707
2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol
CID 112606368

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 2-fluoro-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol (CID 115951251) is 2-fluoro-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 2-fluoro-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol is CC1CCC(C(C)C)C(NCc2cccc(F)c2O)C1.
What is the InChIKey of 2-fluoro-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol?
The InChIKey is OTSQJIKBFBGGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-11(2)14-8-7-12(3)9-16(14)19-10-13-5-4-6-15(18)17(13)20/h4-6,11-12,14,16,19-20H,7-10H2,1-3H3.
What are the key properties of 2-fluoro-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol?
2-fluoro-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol has a molecular weight of 279.40 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 115951251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).