(1S)-1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]ethanamine

C16H24FNO — CID 64729201

IUPAC(1S)-1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]ethanamine
SMILESCC1CC(C)CC(Oc2ccc([C@H](C)N)cc2F)C1
InChIInChI=1S/C16H24FNO/c1-10-6-11(2)8-14(7-10)19-16-5-4-13(12(3)18)9-15(16)17/h4-5,9-12,14H,6-8,18H2,1-3H3/t10?,11?,12-,14?/m0/s1
InChIKeyBIKUKXUKKUGVIE-VPTICVGPSA-N
MW265.37 g/mol
LogP4.05
Rot. Bonds3

About (1S)-1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]ethanamine

(1S)-1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]ethanamine (PubChem CID 64729201) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is (1S)-1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]ethanamine
PubChem CID64729201
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name(1S)-1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]ethanamine
SMILESCC1CC(C)CC(Oc2ccc([C@H](C)N)cc2F)C1
InChIInChI=1S/C16H24FNO/c1-10-6-11(2)8-14(7-10)19-16-5-4-13(12(3)18)9-15(16)17/h4-5,9-12,14H,6-8,18H2,1-3H3/t10?,11?,12-,14?/m0/s1
InChIKeyBIKUKXUKKUGVIE-VPTICVGPSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine
CID 130562859
(1S)-1-[3-fluoro-4-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanamine
CID 78937921
(1R)-1-[3-fluoro-4-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanamine
CID 63369654
1-[3-bromo-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64728805
1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
CID 107693086
(1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63558652
(1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64734743
1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64737275
(1S)-1-[5-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 78999225
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]methanol
CID 107690791

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]ethanamine (CID 64729201) is (1S)-1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]ethanamine is CC1CC(C)CC(Oc2ccc([C@H](C)N)cc2F)C1.
What is the InChIKey of (1S)-1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]ethanamine?
The InChIKey is BIKUKXUKKUGVIE-VPTICVGPSA-N. The full InChI is InChI=1S/C16H24FNO/c1-10-6-11(2)8-14(7-10)19-16-5-4-13(12(3)18)9-15(16)17/h4-5,9-12,14H,6-8,18H2,1-3H3/t10?,11?,12-,14?/m0/s1.
What are the key properties of (1S)-1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]ethanamine?
(1S)-1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]ethanamine has a molecular weight of 265.37 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]ethanamine is sourced from PubChem (CID 64729201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).