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

C16H24FNO — CID 112607156

IUPAC2-fluoro-6-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol
SMILESCC(C)C1CCCCC1NCc1cccc(F)c1O
InChIInChI=1S/C16H24FNO/c1-11(2)13-7-3-4-9-15(13)18-10-12-6-5-8-14(17)16(12)19/h5-6,8,11,13,15,18-19H,3-4,7,9-10H2,1-2H3
InChIKeyBTXDNXJNOFLXFR-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.84
Rot. Bonds4

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

2-fluoro-6-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol (PubChem CID 112607156) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-fluoro-6-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol
PubChem CID112607156
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name2-fluoro-6-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol
SMILESCC(C)C1CCCCC1NCc1cccc(F)c1O
InChIInChI=1S/C16H24FNO/c1-11(2)13-7-3-4-9-15(13)18-10-12-6-5-8-14(17)16(12)19/h5-6,8,11,13,15,18-19H,3-4,7,9-10H2,1-2H3
InChIKeyBTXDNXJNOFLXFR-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.84
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-fluoro-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 115951251
4-fluoro-2-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 107694535
2-[[[(1R,2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]cyclohexyl]amino]methyl]-6-methylphenol
CID 90329687
2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol
CID 83295501
2-fluoro-6-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenol
CID 115951364
2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol
CID 112606368
2-methyl-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 115951249
N-[(3,5-difluorophenyl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 105403288
2-propan-2-yl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine
CID 78952536
2-[[[(2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol
CID 138615280
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol
CID 112606644
2-[(2-fluorophenyl)methylamino]cyclopentan-1-ol
CID 60713458

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 2-fluoro-6-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol (CID 112607156) is 2-fluoro-6-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 2-fluoro-6-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol is CC(C)C1CCCCC1NCc1cccc(F)c1O.
What is the InChIKey of 2-fluoro-6-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol?
The InChIKey is BTXDNXJNOFLXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-11(2)13-7-3-4-9-15(13)18-10-12-6-5-8-14(17)16(12)19/h5-6,8,11,13,15,18-19H,3-4,7,9-10H2,1-2H3.
What are the key properties of 2-fluoro-6-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol?
2-fluoro-6-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol has a molecular weight of 265.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 112607156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).