3-cyclohexyl-N-ethyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine

C18H28FNO — CID 43492217

IUPAC3-cyclohexyl-N-ethyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
SMILESCCNC(CCC1CCCCC1)c1cc(F)ccc1OC
InChIInChI=1S/C18H28FNO/c1-3-20-17(11-9-14-7-5-4-6-8-14)16-13-15(19)10-12-18(16)21-2/h10,12-14,17,20H,3-9,11H2,1-2H3
InChIKeyULFINSVHQMBVJM-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.85
Rot. Bonds7

About 3-cyclohexyl-N-ethyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine

3-cyclohexyl-N-ethyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine (PubChem CID 43492217) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 3-cyclohexyl-N-ethyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-N-ethyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
PubChem CID43492217
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name3-cyclohexyl-N-ethyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
SMILESCCNC(CCC1CCCCC1)c1cc(F)ccc1OC
InChIInChI=1S/C18H28FNO/c1-3-20-17(11-9-14-7-5-4-6-8-14)16-13-15(19)10-12-18(16)21-2/h10,12-14,17,20H,3-9,11H2,1-2H3
InChIKeyULFINSVHQMBVJM-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-cyclohexyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine
CID 105330836
2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 114457630
3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 43561458
2-cyclopentyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 60778145
3-cyclopropyl-N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 104995042
3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 115792780
2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 115793056
1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 105022589
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 43480073
3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 115794885
[2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine
CID 105227559
2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 43492237

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-ethyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-cyclohexyl-N-ethyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine (CID 43492217) is 3-cyclohexyl-N-ethyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-cyclohexyl-N-ethyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-cyclohexyl-N-ethyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine is CCNC(CCC1CCCCC1)c1cc(F)ccc1OC.
What is the InChIKey of 3-cyclohexyl-N-ethyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine?
The InChIKey is ULFINSVHQMBVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-3-20-17(11-9-14-7-5-4-6-8-14)16-13-15(19)10-12-18(16)21-2/h10,12-14,17,20H,3-9,11H2,1-2H3.
What are the key properties of 3-cyclohexyl-N-ethyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine?
3-cyclohexyl-N-ethyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-ethyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 43492217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).