2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol

C15H22FNO — CID 103948073

IUPAC2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol
SMILESCCC1CCCCC1NCc1cc(F)ccc1O
InChIInChI=1S/C15H22FNO/c1-2-11-5-3-4-6-14(11)17-10-12-9-13(16)7-8-15(12)18/h7-9,11,14,17-18H,2-6,10H2,1H3
InChIKeyDIAJHERTUMQGHO-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.59
Rot. Bonds4

About 2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol

2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol (PubChem CID 103948073) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol
PubChem CID103948073
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol
SMILESCCC1CCCCC1NCc1cc(F)ccc1O
InChIInChI=1S/C15H22FNO/c1-2-11-5-3-4-6-14(11)17-10-12-9-13(16)7-8-15(12)18/h7-9,11,14,17-18H,2-6,10H2,1H3
InChIKeyDIAJHERTUMQGHO-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.59
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

N-[(2,5-difluorophenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43709240
4-fluoro-2-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 107694535
4-fluoro-2-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 103948660
2-[(cyclooctylamino)methyl]-4-fluorophenol
CID 103947924
2-[(5-fluoro-2-hydroxyphenyl)methylamino]cyclopentane-1-carbonitrile
CID 113429755
2-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]cyclohexan-1-amine
CID 106365209
trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 93046208
2-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 102876314
N-(2-ethylcyclohexyl)-4-fluoro-2-hydroxybenzamide
CID 107015155
2-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
CID 106365303
[2-[(4-fluoro-2-methylphenyl)methylamino]cyclopentyl]methanol
CID 113243356
1-(2,4-difluorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol
CID 61467080

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol?
The IUPAC name of 2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol (CID 103948073) is 2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol.
What is the SMILES notation for 2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol?
The canonical SMILES for 2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol is CCC1CCCCC1NCc1cc(F)ccc1O.
What is the InChIKey of 2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol?
The InChIKey is DIAJHERTUMQGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-2-11-5-3-4-6-14(11)17-10-12-9-13(16)7-8-15(12)18/h7-9,11,14,17-18H,2-6,10H2,1H3.
What are the key properties of 2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol?
2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol has a molecular weight of 251.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-ethylcyclohexyl)amino]methyl]-4-fluorophenol is sourced from PubChem (CID 103948073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).