2-(3-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine

C17H26FNO — CID 116767827

IUPAC2-(3-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1)C1(OC)CCCC(C)C1
InChIInChI=1S/C17H26FNO/c1-13-6-5-9-17(12-13,20-3)16(19-2)11-14-7-4-8-15(18)10-14/h4,7-8,10,13,16,19H,5-6,9,11-12H2,1-3H3
InChIKeyHWUQPMAJAGOASR-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.55
Rot. Bonds5

About 2-(3-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine

2-(3-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine (PubChem CID 116767827) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
PubChem CID116767827
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name2-(3-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1)C1(OC)CCCC(C)C1
InChIInChI=1S/C17H26FNO/c1-13-6-5-9-17(12-13,20-3)16(19-2)11-14-7-4-8-15(18)10-14/h4,7-8,10,13,16,19H,5-6,9,11-12H2,1-3H3
InChIKeyHWUQPMAJAGOASR-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767869
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine
CID 116767746
[2-(3-bromophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine
CID 105277532
[1-(1-methoxy-3-methylcyclohexyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105277612
2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767753
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 116767803
[2-(4-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine
CID 105277596
1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116770183
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 116767770
2-(3-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
CID 106827610
2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770088
2-cyclopropyl-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767760

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(3-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine (CID 116767827) is 2-(3-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine is CNC(Cc1cccc(F)c1)C1(OC)CCCC(C)C1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine?
The InChIKey is HWUQPMAJAGOASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-13-6-5-9-17(12-13,20-3)16(19-2)11-14-7-4-8-15(18)10-14/h4,7-8,10,13,16,19H,5-6,9,11-12H2,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine?
2-(3-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine has a molecular weight of 279.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine is sourced from PubChem (CID 116767827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).