1-cyclohexyl-N-ethyl-2-[(2-fluorophenyl)methoxy]ethanamine

C17H26FNO — CID 104749468

IUPAC1-cyclohexyl-N-ethyl-2-[(2-fluorophenyl)methoxy]ethanamine
SMILESCCNC(COCc1ccccc1F)C1CCCCC1
InChIInChI=1S/C17H26FNO/c1-2-19-17(14-8-4-3-5-9-14)13-20-12-15-10-6-7-11-16(15)18/h6-7,10-11,14,17,19H,2-5,8-9,12-13H2,1H3
InChIKeyKXXSGRSXWVYVPJ-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.90
Rot. Bonds7

About 1-cyclohexyl-N-ethyl-2-[(2-fluorophenyl)methoxy]ethanamine

1-cyclohexyl-N-ethyl-2-[(2-fluorophenyl)methoxy]ethanamine (PubChem CID 104749468) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-2-[(2-fluorophenyl)methoxy]ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-2-[(2-fluorophenyl)methoxy]ethanamine
PubChem CID104749468
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-cyclohexyl-N-ethyl-2-[(2-fluorophenyl)methoxy]ethanamine
SMILESCCNC(COCc1ccccc1F)C1CCCCC1
InChIInChI=1S/C17H26FNO/c1-2-19-17(14-8-4-3-5-9-14)13-20-12-15-10-6-7-11-16(15)18/h6-7,10-11,14,17,19H,2-5,8-9,12-13H2,1H3
InChIKeyKXXSGRSXWVYVPJ-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-ethyl-2-(2-fluorophenoxy)ethanamine
CID 113448545
1-cyclohexyl-2-[(2-fluorophenyl)methoxy]ethanol
CID 104753717
2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine
CID 115983923
1-cyclopropyl-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63355250
1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65018291
N-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61063838
N-ethyl-5-[(2-fluorophenyl)methoxy]pentan-2-amine
CID 63935925
2-(2-chloro-6-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413792
1-cycloheptyl-N-ethyl-2-methoxyethanamine
CID 79574660
1-cyclohexyl-N-ethyl-2-(2-methoxyethoxy)ethanamine
CID 104748657
1-cyclohexyl-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447381
1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 3604770

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-2-[(2-fluorophenyl)methoxy]ethanamine?
The IUPAC name of 1-cyclohexyl-N-ethyl-2-[(2-fluorophenyl)methoxy]ethanamine (CID 104749468) is 1-cyclohexyl-N-ethyl-2-[(2-fluorophenyl)methoxy]ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-2-[(2-fluorophenyl)methoxy]ethanamine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-2-[(2-fluorophenyl)methoxy]ethanamine is CCNC(COCc1ccccc1F)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-2-[(2-fluorophenyl)methoxy]ethanamine?
The InChIKey is KXXSGRSXWVYVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-2-19-17(14-8-4-3-5-9-14)13-20-12-15-10-6-7-11-16(15)18/h6-7,10-11,14,17,19H,2-5,8-9,12-13H2,1H3.
What are the key properties of 1-cyclohexyl-N-ethyl-2-[(2-fluorophenyl)methoxy]ethanamine?
1-cyclohexyl-N-ethyl-2-[(2-fluorophenyl)methoxy]ethanamine has a molecular weight of 279.40 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-2-[(2-fluorophenyl)methoxy]ethanamine is sourced from PubChem (CID 104749468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).