2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine

C24H32FNO — CID 2880264

IUPAC2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine
SMILESCCC1(C)CC(CCNCc2ccc(F)cc2)(c2ccc(C)cc2)CCO1
InChIInChI=1S/C24H32FNO/c1-4-23(3)18-24(14-16-27-23,21-9-5-19(2)6-10-21)13-15-26-17-20-7-11-22(25)12-8-20/h5-12,26H,4,13-18H2,1-3H3
InChIKeyRIFBHJUQIDTORA-UHFFFAOYSA-N
MW369.52 g/mol
LogP5.53
Rot. Bonds7

About 2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine

2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine (PubChem CID 2880264) has the molecular formula C24H32FNO and a molecular weight of 369.52 g/mol. Its IUPAC name is 2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine
PubChem CID2880264
Molecular FormulaC24H32FNO
Molecular Weight369.52 g/mol
Exact Mass369.25
IUPAC Name2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine
SMILESCCC1(C)CC(CCNCc2ccc(F)cc2)(c2ccc(C)cc2)CCO1
InChIInChI=1S/C24H32FNO/c1-4-23(3)18-24(14-16-27-23,21-9-5-19(2)6-10-21)13-15-26-17-20-7-11-22(25)12-8-20/h5-12,26H,4,13-18H2,1-3H3
InChIKeyRIFBHJUQIDTORA-UHFFFAOYSA-N
XLogP5.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.52
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of 2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine (CID 2880264) is 2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine is CCC1(C)CC(CCNCc2ccc(F)cc2)(c2ccc(C)cc2)CCO1.
What is the InChIKey of 2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine?
The InChIKey is RIFBHJUQIDTORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FNO/c1-4-23(3)18-24(14-16-27-23,21-9-5-19(2)6-10-21)13-15-26-17-20-7-11-22(25)12-8-20/h5-12,26H,4,13-18H2,1-3H3.
What are the key properties of 2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine?
2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine has a molecular weight of 369.52 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-2-methyl-4-(4-methylphenyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 2880264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).