2-(cyclohexylmethoxy)-1-(2,5-difluorophenyl)ethanamine

C15H21F2NO — CID 107523541

IUPAC2-(cyclohexylmethoxy)-1-(2,5-difluorophenyl)ethanamine
SMILESNC(COCC1CCCCC1)c1cc(F)ccc1F
InChIInChI=1S/C15H21F2NO/c16-12-6-7-14(17)13(8-12)15(18)10-19-9-11-4-2-1-3-5-11/h6-8,11,15H,1-5,9-10,18H2
InChIKeyIPVSQJGAOXXOQZ-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.56
Rot. Bonds5

About 2-(cyclohexylmethoxy)-1-(2,5-difluorophenyl)ethanamine

2-(cyclohexylmethoxy)-1-(2,5-difluorophenyl)ethanamine (PubChem CID 107523541) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-1-(2,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-1-(2,5-difluorophenyl)ethanamine
PubChem CID107523541
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2-(cyclohexylmethoxy)-1-(2,5-difluorophenyl)ethanamine
SMILESNC(COCC1CCCCC1)c1cc(F)ccc1F
InChIInChI=1S/C15H21F2NO/c16-12-6-7-14(17)13(8-12)15(18)10-19-9-11-4-2-1-3-5-11/h6-8,11,15H,1-5,9-10,18H2
InChIKeyIPVSQJGAOXXOQZ-UHFFFAOYSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyloxy-1-(2,5-difluorophenyl)ethanamine
CID 16793773
1-(2,5-difluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 45283478
2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine
CID 65139295
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(2,5-difluorophenyl)ethanamine
CID 107522127
2-cyclopentyl-1-(2,5-difluorophenyl)ethanol
CID 61101489
1-(5-chloro-2-fluorophenyl)-3-cyclohexylpropan-1-amine
CID 114192287
1-(2,5-difluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
CID 107523679
1-(cyclohexylmethoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62383305
[cyclooctyl-(2,5-difluorophenyl)methyl]hydrazine
CID 105255093
1-(2,5-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 107523950
2-cycloheptyloxy-1-(2-fluorophenyl)ethanamine
CID 114058365
[2-cyclohexyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine
CID 105330836

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-1-(2,5-difluorophenyl)ethanamine?
The IUPAC name of 2-(cyclohexylmethoxy)-1-(2,5-difluorophenyl)ethanamine (CID 107523541) is 2-(cyclohexylmethoxy)-1-(2,5-difluorophenyl)ethanamine.
What is the SMILES notation for 2-(cyclohexylmethoxy)-1-(2,5-difluorophenyl)ethanamine?
The canonical SMILES for 2-(cyclohexylmethoxy)-1-(2,5-difluorophenyl)ethanamine is NC(COCC1CCCCC1)c1cc(F)ccc1F.
What is the InChIKey of 2-(cyclohexylmethoxy)-1-(2,5-difluorophenyl)ethanamine?
The InChIKey is IPVSQJGAOXXOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c16-12-6-7-14(17)13(8-12)15(18)10-19-9-11-4-2-1-3-5-11/h6-8,11,15H,1-5,9-10,18H2.
What are the key properties of 2-(cyclohexylmethoxy)-1-(2,5-difluorophenyl)ethanamine?
2-(cyclohexylmethoxy)-1-(2,5-difluorophenyl)ethanamine has a molecular weight of 269.33 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-1-(2,5-difluorophenyl)ethanamine is sourced from PubChem (CID 107523541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).