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

C18H28FNO — CID 115958827

IUPAC1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(F)c1OC1CCCC(CC)C1
InChIInChI=1S/C18H28FNO/c1-3-13-7-5-9-16(11-13)21-18-14(12-15(20)4-2)8-6-10-17(18)19/h6,8,10,13,15-16H,3-5,7,9,11-12,20H2,1-2H3
InChIKeyXOHLDXYHURTIHV-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.45
Rot. Bonds6

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

1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine (PubChem CID 115958827) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine
PubChem CID115958827
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(F)c1OC1CCCC(CC)C1
InChIInChI=1S/C18H28FNO/c1-3-13-7-5-9-16(11-13)21-18-14(12-15(20)4-2)8-6-10-17(18)19/h6,8,10,13,15-16H,3-5,7,9,11-12,20H2,1-2H3
InChIKeyXOHLDXYHURTIHV-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
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-(3,4-dimethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine
CID 115958807
1-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)butan-2-amine
CID 114620716
1-[2-(4-ethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
CID 115958578
1-[2-(1,1-dioxothiolan-3-yl)oxy-3-fluorophenyl]butan-2-amine
CID 115958816
1-[2-chloro-6-(3-ethylcyclohexyl)oxyphenyl]butan-2-amine
CID 114322092
[2-(3-ethylcyclohexyl)oxy-3-methylphenyl]methanamine
CID 112607468
1-[3-fluoro-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine
CID 115958778
(2-cyclopentyloxy-3-fluorophenyl)methanol
CID 112613227
2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 77034372
1-[3-fluoro-2-(oxan-2-ylmethoxy)phenyl]butan-2-amine
CID 115958795
1-(2-cyclohexyloxyphenyl)butan-2-amine
CID 54930577

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine?
The IUPAC name of 1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine (CID 115958827) is 1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine.
What is the SMILES notation for 1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine?
The canonical SMILES for 1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine is CCC(N)Cc1cccc(F)c1OC1CCCC(CC)C1.
What is the InChIKey of 1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine?
The InChIKey is XOHLDXYHURTIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-3-13-7-5-9-16(11-13)21-18-14(12-15(20)4-2)8-6-10-17(18)19/h6,8,10,13,15-16H,3-5,7,9,11-12,20H2,1-2H3.
What are the key properties of 1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine?
1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine has a molecular weight of 293.43 g/mol, XLogP of 4.45, 6 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]butan-2-amine is sourced from PubChem (CID 115958827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).