N-[[2-(2-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]ethanamine

C17H26FN — CID 81031795

IUPACN-[[2-(2-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)CC1c1cc(C)ccc1F
InChIInChI=1S/C17H26FN/c1-4-19-11-14-7-5-12(2)9-15(14)16-10-13(3)6-8-17(16)18/h6,8,10,12,14-15,19H,4-5,7,9,11H2,1-3H3
InChIKeyOFRUDGFJTZDCJS-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.26
Rot. Bonds4

About N-[[2-(2-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]ethanamine

N-[[2-(2-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]ethanamine (PubChem CID 81031795) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is N-[[2-(2-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]ethanamine
PubChem CID81031795
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC NameN-[[2-(2-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)CC1c1cc(C)ccc1F
InChIInChI=1S/C17H26FN/c1-4-19-11-14-7-5-12(2)9-15(14)16-10-13(3)6-8-17(16)18/h6,8,10,12,14-15,19H,4-5,7,9,11H2,1-3H3
InChIKeyOFRUDGFJTZDCJS-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]ethanamine (CID 81031795) is N-[[2-(2-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]ethanamine is CCNCC1CCC(C)CC1c1cc(C)ccc1F.
What is the InChIKey of N-[[2-(2-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]ethanamine?
The InChIKey is OFRUDGFJTZDCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-4-19-11-14-7-5-12(2)9-15(14)16-10-13(3)6-8-17(16)18/h6,8,10,12,14-15,19H,4-5,7,9,11H2,1-3H3.
What are the key properties of N-[[2-(2-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]ethanamine?
N-[[2-(2-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]ethanamine has a molecular weight of 263.40 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81031795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).