2-[2-(3,5-dimethylcyclohexyl)oxy-5-fluorophenyl]ethanamine

C16H24FNO — CID 107700340

IUPAC2-[2-(3,5-dimethylcyclohexyl)oxy-5-fluorophenyl]ethanamine
SMILESCC1CC(C)CC(Oc2ccc(F)cc2CCN)C1
InChIInChI=1S/C16H24FNO/c1-11-7-12(2)9-15(8-11)19-16-4-3-14(17)10-13(16)5-6-18/h3-4,10-12,15H,5-9,18H2,1-2H3
InChIKeyUKJPXESTDUGDGA-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.53
Rot. Bonds4

About 2-[2-(3,5-dimethylcyclohexyl)oxy-5-fluorophenyl]ethanamine

2-[2-(3,5-dimethylcyclohexyl)oxy-5-fluorophenyl]ethanamine (PubChem CID 107700340) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylcyclohexyl)oxy-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(3,5-dimethylcyclohexyl)oxy-5-fluorophenyl]ethanamine
PubChem CID107700340
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name2-[2-(3,5-dimethylcyclohexyl)oxy-5-fluorophenyl]ethanamine
SMILESCC1CC(C)CC(Oc2ccc(F)cc2CCN)C1
InChIInChI=1S/C16H24FNO/c1-11-7-12(2)9-15(8-11)19-16-4-3-14(17)10-13(16)5-6-18/h3-4,10-12,15H,5-9,18H2,1-2H3
InChIKeyUKJPXESTDUGDGA-UHFFFAOYSA-N
XLogP3.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine
CID 117298784
2-(3,5-dimethylcyclohexyl)oxy-4-fluoro-1-methylbenzene
CID 102990439
2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64776286
2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methylbenzene
CID 64735526
3-[2-(3,5-dimethylcyclohexyl)oxy-5-fluorophenyl]prop-2-yn-1-ol
CID 64731121
[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]methanol
CID 107690791
2-[5-fluoro-2-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102990405
(1S)-1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]ethanamine
CID 64729201
2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methoxybenzene
CID 64735146
1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
CID 107693086
2-(4-fluoro-2-methoxyphenyl)ethanamine
CID 55254856
2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107700281

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylcyclohexyl)oxy-5-fluorophenyl]ethanamine?
The IUPAC name of 2-[2-(3,5-dimethylcyclohexyl)oxy-5-fluorophenyl]ethanamine (CID 107700340) is 2-[2-(3,5-dimethylcyclohexyl)oxy-5-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[2-(3,5-dimethylcyclohexyl)oxy-5-fluorophenyl]ethanamine?
The canonical SMILES for 2-[2-(3,5-dimethylcyclohexyl)oxy-5-fluorophenyl]ethanamine is CC1CC(C)CC(Oc2ccc(F)cc2CCN)C1.
What is the InChIKey of 2-[2-(3,5-dimethylcyclohexyl)oxy-5-fluorophenyl]ethanamine?
The InChIKey is UKJPXESTDUGDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-11-7-12(2)9-15(8-11)19-16-4-3-14(17)10-13(16)5-6-18/h3-4,10-12,15H,5-9,18H2,1-2H3.
What are the key properties of 2-[2-(3,5-dimethylcyclohexyl)oxy-5-fluorophenyl]ethanamine?
2-[2-(3,5-dimethylcyclohexyl)oxy-5-fluorophenyl]ethanamine has a molecular weight of 265.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylcyclohexyl)oxy-5-fluorophenyl]ethanamine is sourced from PubChem (CID 107700340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).