2-(3-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine

C16H24FN — CID 106827610

IUPAC2-(3-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
SMILESCNC(Cc1cccc(F)c1)C1(C)CCCCC1
InChIInChI=1S/C16H24FN/c1-16(9-4-3-5-10-16)15(18-2)12-13-7-6-8-14(17)11-13/h6-8,11,15,18H,3-5,9-10,12H2,1-2H3
InChIKeyLFQRLOLGTZOPBE-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.93
Rot. Bonds4

About 2-(3-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine

2-(3-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine (PubChem CID 106827610) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
PubChem CID106827610
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name2-(3-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
SMILESCNC(Cc1cccc(F)c1)C1(C)CCCCC1
InChIInChI=1S/C16H24FN/c1-16(9-4-3-5-10-16)15(18-2)12-13-7-6-8-14(17)11-13/h6-8,11,15,18H,3-5,9-10,12H2,1-2H3
InChIKeyLFQRLOLGTZOPBE-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-bromo-2-(1-methylcyclohexyl)ethyl]-3-fluorobenzene
CID 106828912
2-(3-fluorophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
CID 79057960
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 115843879
1-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070691
2-(4-tert-butylphenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
CID 106829968
1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 116764071
2-(3-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767827
N-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106827637
1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116770183
[2-(3-methoxyphenyl)-1-(1-methylcyclopentyl)ethyl]hydrazine
CID 105295319
2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770088
[2-(3-chloro-4-fluorophenyl)-1-(1-methylcyclohexyl)ethyl]hydrazine
CID 106831414

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine (CID 106827610) is 2-(3-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine is CNC(Cc1cccc(F)c1)C1(C)CCCCC1.
What is the InChIKey of 2-(3-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine?
The InChIKey is LFQRLOLGTZOPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-16(9-4-3-5-10-16)15(18-2)12-13-7-6-8-14(17)11-13/h6-8,11,15,18H,3-5,9-10,12H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine?
2-(3-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine has a molecular weight of 249.37 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine is sourced from PubChem (CID 106827610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).