1-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-2-amine

C18H28FNO — CID 63457116

IUPAC1-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-2-amine
SMILESCCC(N)C(OC1CCCCC1CC)c1ccc(F)cc1
InChIInChI=1S/C18H28FNO/c1-3-13-7-5-6-8-17(13)21-18(16(20)4-2)14-9-11-15(19)12-10-14/h9-13,16-18H,3-8,20H2,1-2H3
InChIKeyXULWIOTUHZHMOX-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.59
Rot. Bonds6

About 1-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-2-amine

1-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-2-amine (PubChem CID 63457116) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-2-amine
PubChem CID63457116
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name1-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-2-amine
SMILESCCC(N)C(OC1CCCCC1CC)c1ccc(F)cc1
InChIInChI=1S/C18H28FNO/c1-3-13-7-5-6-8-17(13)21-18(16(20)4-2)14-9-11-15(19)12-10-14/h9-13,16-18H,3-8,20H2,1-2H3
InChIKeyXULWIOTUHZHMOX-UHFFFAOYSA-N
XLogP4.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylcyclohexyl)oxy-1-(5-methylthiophen-2-yl)butan-2-amine
CID 63458965
1-(4-bromophenyl)-1-cyclobutyloxybutan-2-amine
CID 62115253
1-(4-chlorophenyl)-1-cycloheptyloxybutan-2-amine
CID 63461230
1-(4-chlorophenyl)-1-cyclohexyloxybutan-2-amine
CID 55014714
1-(2-chlorophenyl)-1-(2-ethylcyclohexyl)oxypropan-2-amine
CID 63457119
1-(4-fluorophenyl)-1-phenoxybutan-2-amine
CID 55015456
1-[2-bromo-1-(2-ethylcyclohexyl)oxyethyl]-3-fluorobenzene
CID 63468080
2-(2-ethylcyclohexyl)oxy-3,4-difluoroaniline
CID 62533930
1-(3,4-dichlorophenoxy)-1-(4-fluorophenyl)butan-2-amine
CID 63461965
1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine
CID 63460497
1-cyclopentyloxy-1-(2-fluorophenyl)butan-2-amine
CID 55018597
1-(4-fluorophenyl)-1-(4-methylpentoxy)butan-2-amine
CID 55015028

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-2-amine?
The IUPAC name of 1-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-2-amine (CID 63457116) is 1-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-2-amine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-2-amine?
The canonical SMILES for 1-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-2-amine is CCC(N)C(OC1CCCCC1CC)c1ccc(F)cc1.
What is the InChIKey of 1-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-2-amine?
The InChIKey is XULWIOTUHZHMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-3-13-7-5-6-8-17(13)21-18(16(20)4-2)14-9-11-15(19)12-10-14/h9-13,16-18H,3-8,20H2,1-2H3.
What are the key properties of 1-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-2-amine?
1-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-2-amine has a molecular weight of 293.43 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-2-amine is sourced from PubChem (CID 63457116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).