4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine

C18H28FNO — CID 115829566

IUPAC4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
SMILESCNC(CCC1CCCCC1)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C18H28FNO/c1-20-16(10-8-14-6-4-3-5-7-14)12-15-9-11-18(21-2)17(19)13-15/h9,11,13-14,16,20H,3-8,10,12H2,1-2H3
InChIKeyKSOPQXUACDDOPY-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.33
Rot. Bonds7

About 4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine

4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine (PubChem CID 115829566) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
PubChem CID115829566
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
SMILESCNC(CCC1CCCCC1)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C18H28FNO/c1-20-16(10-8-14-6-4-3-5-7-14)12-15-9-11-18(21-2)17(19)13-15/h9,11,13-14,16,20H,3-8,10,12H2,1-2H3
InChIKeyKSOPQXUACDDOPY-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 115829847
[1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine
CID 105292967
4-cyclopentyl-1-(3,4-dimethylphenyl)-N-methylbutan-2-amine
CID 63526762
4-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 105122208
4-(2,2-difluoroethoxy)-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 103149423
1-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 62600154
1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987074
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115829530
[1-cyclooctyl-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105255092
1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine
CID 63528999
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65398856
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65399384

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine?
The IUPAC name of 4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine (CID 115829566) is 4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine.
What is the SMILES notation for 4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine?
The canonical SMILES for 4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine is CNC(CCC1CCCCC1)Cc1ccc(OC)c(F)c1.
What is the InChIKey of 4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine?
The InChIKey is KSOPQXUACDDOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-20-16(10-8-14-6-4-3-5-7-14)12-15-9-11-18(21-2)17(19)13-15/h9,11,13-14,16,20H,3-8,10,12H2,1-2H3.
What are the key properties of 4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine?
4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine has a molecular weight of 293.43 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine is sourced from PubChem (CID 115829566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).