2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine

C15H22FNO — CID 112615272

IUPAC2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine
SMILESNCCc1cccc(F)c1OCC1CCCCC1
InChIInChI=1S/C15H22FNO/c16-14-8-4-7-13(9-10-17)15(14)18-11-12-5-2-1-3-6-12/h4,7-8,12H,1-3,5-6,9-11,17H2
InChIKeyBAJZCLLNWOHZQA-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.29
Rot. Bonds5

About 2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine

2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine (PubChem CID 112615272) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine
PubChem CID112615272
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine
SMILESNCCc1cccc(F)c1OCC1CCCCC1
InChIInChI=1S/C15H22FNO/c16-14-8-4-7-13(9-10-17)15(14)18-11-12-5-2-1-3-6-12/h4,7-8,12H,1-3,5-6,9-11,17H2
InChIKeyBAJZCLLNWOHZQA-UHFFFAOYSA-N
XLogP3.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanamine
CID 106930366
2-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 112615119
2-(cyclohexylmethoxy)-1-fluoro-3-methylbenzene
CID 59117163
2-(cyclohexylmethoxy)-3-fluorobenzoic acid
CID 62650140
2-[3-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine
CID 112615284
1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene
CID 59382984
2-(cyclohexylmethoxy)-3,4-difluoroaniline
CID 62531491
2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115984055
2-(3-fluoro-2-pentoxyphenyl)ethanamine
CID 112615154
2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 112615303
2-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethanamine
CID 114620711
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-cyclopropyl-N-methylacetamide
CID 112615213

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine?
The IUPAC name of 2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine (CID 112615272) is 2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine?
The canonical SMILES for 2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine is NCCc1cccc(F)c1OCC1CCCCC1.
What is the InChIKey of 2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine?
The InChIKey is BAJZCLLNWOHZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c16-14-8-4-7-13(9-10-17)15(14)18-11-12-5-2-1-3-6-12/h4,7-8,12H,1-3,5-6,9-11,17H2.
What are the key properties of 2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine?
2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine has a molecular weight of 251.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 112615272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).