3-fluoro-4-(2-phenylethoxy)cyclohexan-1-amine

C14H20FNO — CID 69276156

IUPAC3-fluoro-4-(2-phenylethoxy)cyclohexan-1-amine
SMILESNC1CCC(OCCc2ccccc2)C(F)C1
InChIInChI=1S/C14H20FNO/c15-13-10-12(16)6-7-14(13)17-9-8-11-4-2-1-3-5-11/h1-5,12-14H,6-10,16H2
InChIKeyMMOGIVGIJVFDFS-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.46
Rot. Bonds4

About 3-fluoro-4-(2-phenylethoxy)cyclohexan-1-amine

3-fluoro-4-(2-phenylethoxy)cyclohexan-1-amine (PubChem CID 69276156) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-fluoro-4-(2-phenylethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name3-fluoro-4-(2-phenylethoxy)cyclohexan-1-amine
PubChem CID69276156
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-fluoro-4-(2-phenylethoxy)cyclohexan-1-amine
SMILESNC1CCC(OCCc2ccccc2)C(F)C1
InChIInChI=1S/C14H20FNO/c15-13-10-12(16)6-7-14(13)17-9-8-11-4-2-1-3-5-11/h1-5,12-14H,6-10,16H2
InChIKeyMMOGIVGIJVFDFS-UHFFFAOYSA-N
XLogP2.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-phenylethoxy)cyclopentan-1-amine
CID 43127941
cis-(1R,2S)-2-(2-phenylethoxy)cyclohexan-1-ol
CID 59987763
2-cyclobutyloxyethylbenzene
CID 54003575
3-phenylmethoxycyclopentan-1-amine
CID 79421215
2-(2-phenylethoxy)-1-azabicyclo[2.2.2]octane
CID 154128483
(2R)-5-amino-2-[(2S,5R)-6-(aminomethyl)-4-fluoro-5-phenylmethoxyoxan-2-yl]oxycyclohexan-1-ol
CID 142537460
1-N-(2-phenylethyl)cyclohexane-1,3-diamine
CID 79459302
cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine
CID 10512782
cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine
CID 86659751
4-[(2-phenylethylamino)methyl]cyclohexan-1-amine
CID 59231059
hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine
CID 159010718
1-methyl-4-(2-phenylethoxy)piperidine
CID 18722996

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-phenylethoxy)cyclohexan-1-amine?
The IUPAC name of 3-fluoro-4-(2-phenylethoxy)cyclohexan-1-amine (CID 69276156) is 3-fluoro-4-(2-phenylethoxy)cyclohexan-1-amine.
What is the SMILES notation for 3-fluoro-4-(2-phenylethoxy)cyclohexan-1-amine?
The canonical SMILES for 3-fluoro-4-(2-phenylethoxy)cyclohexan-1-amine is NC1CCC(OCCc2ccccc2)C(F)C1.
What is the InChIKey of 3-fluoro-4-(2-phenylethoxy)cyclohexan-1-amine?
The InChIKey is MMOGIVGIJVFDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c15-13-10-12(16)6-7-14(13)17-9-8-11-4-2-1-3-5-11/h1-5,12-14H,6-10,16H2.
What are the key properties of 3-fluoro-4-(2-phenylethoxy)cyclohexan-1-amine?
3-fluoro-4-(2-phenylethoxy)cyclohexan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-phenylethoxy)cyclohexan-1-amine is sourced from PubChem (CID 69276156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).