1-[2-(4-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine

C17H26FNO — CID 115958578

IUPAC1-[2-(4-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
SMILESCCC1CCC(Oc2c(F)cccc2CC(C)N)CC1
InChIInChI=1S/C17H26FNO/c1-3-13-7-9-15(10-8-13)20-17-14(11-12(2)19)5-4-6-16(17)18/h4-6,12-13,15H,3,7-11,19H2,1-2H3
InChIKeyFOLDVNUTRGDQPM-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.06
Rot. Bonds5

About 1-[2-(4-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine

1-[2-(4-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine (PubChem CID 115958578) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-[2-(4-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(4-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
PubChem CID115958578
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-[2-(4-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
SMILESCCC1CCC(Oc2c(F)cccc2CC(C)N)CC1
InChIInChI=1S/C17H26FNO/c1-3-13-7-9-15(10-8-13)20-17-14(11-12(2)19)5-4-6-16(17)18/h4-6,12-13,15H,3,7-11,19H2,1-2H3
InChIKeyFOLDVNUTRGDQPM-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]propan-2-amine
CID 115958688
1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine
CID 115958827
1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine
CID 54929333
1-[2-(3,4-dimethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine
CID 115958807
1-[3,5-dibromo-4-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine
CID 107739848
1-[3,5-dichloro-2-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine
CID 64774236
1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine
CID 61391929
1-(3-fluoro-2-octoxyphenyl)propan-2-amine
CID 115958573
1-[2-(3-ethylpyrrolidin-1-yl)-3-fluorophenyl]propan-2-amine
CID 114070145
1-(3-fluoro-2-pentan-2-yloxyphenyl)propan-2-amine
CID 114012797
N-[[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 115955018
1-[2-(1,1-dioxothiolan-3-yl)oxy-3-fluorophenyl]butan-2-amine
CID 115958816

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[2-(4-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine (CID 115958578) is 1-[2-(4-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(4-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-(4-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine is CCC1CCC(Oc2c(F)cccc2CC(C)N)CC1.
What is the InChIKey of 1-[2-(4-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine?
The InChIKey is FOLDVNUTRGDQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-13-7-9-15(10-8-13)20-17-14(11-12(2)19)5-4-6-16(17)18/h4-6,12-13,15H,3,7-11,19H2,1-2H3.
What are the key properties of 1-[2-(4-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine?
1-[2-(4-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-(4-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine is sourced from PubChem (CID 115958578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).