4-[2-(4-fluorophenyl)-2-methyl-3-methylidenehexoxy]-N-methylbutan-1-amine

C19H30FNO — CID 154969633

IUPAC4-[2-(4-fluorophenyl)-2-methyl-3-methylidenehexoxy]-N-methylbutan-1-amine
SMILESC=C(CCC)C(C)(COCCCCNC)c1ccc(F)cc1
InChIInChI=1S/C19H30FNO/c1-5-8-16(2)19(3,15-22-14-7-6-13-21-4)17-9-11-18(20)12-10-17/h9-12,21H,2,5-8,13-15H2,1,3-4H3
InChIKeyIKHLHVMGERUPAW-UHFFFAOYSA-N
MW307.45 g/mol
LogP4.46
Rot. Bonds11

About 4-[2-(4-fluorophenyl)-2-methyl-3-methylidenehexoxy]-N-methylbutan-1-amine

4-[2-(4-fluorophenyl)-2-methyl-3-methylidenehexoxy]-N-methylbutan-1-amine (PubChem CID 154969633) has the molecular formula C19H30FNO and a molecular weight of 307.45 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-2-methyl-3-methylidenehexoxy]-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-2-methyl-3-methylidenehexoxy]-N-methylbutan-1-amine
PubChem CID154969633
Molecular FormulaC19H30FNO
Molecular Weight307.45 g/mol
Exact Mass307.23
IUPAC Name4-[2-(4-fluorophenyl)-2-methyl-3-methylidenehexoxy]-N-methylbutan-1-amine
SMILESC=C(CCC)C(C)(COCCCCNC)c1ccc(F)cc1
InChIInChI=1S/C19H30FNO/c1-5-8-16(2)19(3,15-22-14-7-6-13-21-4)17-9-11-18(20)12-10-17/h9-12,21H,2,5-8,13-15H2,1,3-4H3
InChIKeyIKHLHVMGERUPAW-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-2-methyl-3-methylidenehexoxy]-N-methylbutan-1-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-2-methyl-3-methylidenehexoxy]-N-methylbutan-1-amine (CID 154969633) is 4-[2-(4-fluorophenyl)-2-methyl-3-methylidenehexoxy]-N-methylbutan-1-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-2-methyl-3-methylidenehexoxy]-N-methylbutan-1-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-2-methyl-3-methylidenehexoxy]-N-methylbutan-1-amine is C=C(CCC)C(C)(COCCCCNC)c1ccc(F)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-2-methyl-3-methylidenehexoxy]-N-methylbutan-1-amine?
The InChIKey is IKHLHVMGERUPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FNO/c1-5-8-16(2)19(3,15-22-14-7-6-13-21-4)17-9-11-18(20)12-10-17/h9-12,21H,2,5-8,13-15H2,1,3-4H3.
What are the key properties of 4-[2-(4-fluorophenyl)-2-methyl-3-methylidenehexoxy]-N-methylbutan-1-amine?
4-[2-(4-fluorophenyl)-2-methyl-3-methylidenehexoxy]-N-methylbutan-1-amine has a molecular weight of 307.45 g/mol, XLogP of 4.46, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-2-methyl-3-methylidenehexoxy]-N-methylbutan-1-amine is sourced from PubChem (CID 154969633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).