1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine

C16H22FNO — CID 115829530

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)c(F)c1)C1C2CCCC21
InChIInChI=1S/C16H22FNO/c1-18-14(16-11-4-3-5-12(11)16)9-10-6-7-15(19-2)13(17)8-10/h6-8,11-12,14,16,18H,3-5,9H2,1-2H3
InChIKeyJWPUHOCHWAKWIX-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.01
Rot. Bonds5

About 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine

1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine (PubChem CID 115829530) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
PubChem CID115829530
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)c(F)c1)C1C2CCCC21
InChIInChI=1S/C16H22FNO/c1-18-14(16-11-4-3-5-12(11)16)9-10-6-7-15(19-2)13(17)8-10/h6-8,11-12,14,16,18H,3-5,9H2,1-2H3
InChIKeyJWPUHOCHWAKWIX-UHFFFAOYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine with MolForge

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Related Compounds

1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829604
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-4-fluorophenyl)-N-methylethanamine
CID 115818368
[1-cyclooctyl-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105255092
4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 115829566
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65398856
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65399384
1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 103168395
[1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine
CID 105292967
1-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 62600154
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)-N-methylethanamine
CID 105015427
4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 115829847
1-(7-bicyclo[4.1.0]heptanyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377331

Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine (CID 115829530) is 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccc(OC)c(F)c1)C1C2CCCC21.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The InChIKey is JWPUHOCHWAKWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-18-14(16-11-4-3-5-12(11)16)9-10-6-7-15(19-2)13(17)8-10/h6-8,11-12,14,16,18H,3-5,9H2,1-2H3.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine has a molecular weight of 263.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 115829530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).