1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine

C17H26FNO — CID 115958688

IUPAC1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
SMILESCCC1CCCC(Oc2c(F)cccc2CC(C)N)C1
InChIInChI=1S/C17H26FNO/c1-3-13-6-4-8-15(11-13)20-17-14(10-12(2)19)7-5-9-16(17)18/h5,7,9,12-13,15H,3-4,6,8,10-11,19H2,1-2H3
InChIKeyZVEWQQLURNFEJE-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.06
Rot. Bonds5

About 1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine

1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine (PubChem CID 115958688) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
PubChem CID115958688
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
SMILESCCC1CCCC(Oc2c(F)cccc2CC(C)N)C1
InChIInChI=1S/C17H26FNO/c1-3-13-6-4-8-15(11-13)20-17-14(10-12(2)19)7-5-9-16(17)18/h5,7,9,12-13,15H,3-4,6,8,10-11,19H2,1-2H3
InChIKeyZVEWQQLURNFEJE-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine
CID 115958827
1-[2-(4-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
CID 115958578
1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine
CID 61391929
[2-(3-ethylcyclohexyl)oxy-3-methylphenyl]methanamine
CID 112607468
1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine
CID 54929333
1-[2-(3,4-dimethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine
CID 115958807
1-(bromomethyl)-3-fluoro-2-(3-methylcyclohexyl)oxybenzene
CID 112613992
(2-cyclopentyloxy-3-fluorophenyl)methanol
CID 112613227
2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 77034372
(2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 65412911
1-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)butan-2-amine
CID 114620716
(1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine
CID 78967085

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine (CID 115958688) is 1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine is CCC1CCCC(Oc2c(F)cccc2CC(C)N)C1.
What is the InChIKey of 1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine?
The InChIKey is ZVEWQQLURNFEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-13-6-4-8-15(11-13)20-17-14(10-12(2)19)7-5-9-16(17)18/h5,7,9,12-13,15H,3-4,6,8,10-11,19H2,1-2H3.
What are the key properties of 1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine?
1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine has a molecular weight of 279.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine is sourced from PubChem (CID 115958688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).