4-[(2-fluorophenyl)methoxy]-N-methyl-N-propan-2-ylbutan-1-amine

C15H24FNO — CID 20662454

IUPAC4-[(2-fluorophenyl)methoxy]-N-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)N(C)CCCCOCc1ccccc1F
InChIInChI=1S/C15H24FNO/c1-13(2)17(3)10-6-7-11-18-12-14-8-4-5-9-15(14)16/h4-5,8-9,13H,6-7,10-12H2,1-3H3
InChIKeyMHIJPCZMPACNDO-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.46
Rot. Bonds8

About 4-[(2-fluorophenyl)methoxy]-N-methyl-N-propan-2-ylbutan-1-amine

4-[(2-fluorophenyl)methoxy]-N-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 20662454) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methoxy]-N-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methoxy]-N-methyl-N-propan-2-ylbutan-1-amine
PubChem CID20662454
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name4-[(2-fluorophenyl)methoxy]-N-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)N(C)CCCCOCc1ccccc1F
InChIInChI=1S/C15H24FNO/c1-13(2)17(3)10-6-7-11-18-12-14-8-4-5-9-15(14)16/h4-5,8-9,13H,6-7,10-12H2,1-3H3
InChIKeyMHIJPCZMPACNDO-UHFFFAOYSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
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 4-[(2-fluorophenyl)methoxy]-N-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-[(2-fluorophenyl)methoxy]-N-methyl-N-propan-2-ylbutan-1-amine (CID 20662454) is 4-[(2-fluorophenyl)methoxy]-N-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-[(2-fluorophenyl)methoxy]-N-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-[(2-fluorophenyl)methoxy]-N-methyl-N-propan-2-ylbutan-1-amine is CC(C)N(C)CCCCOCc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)methoxy]-N-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is MHIJPCZMPACNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-13(2)17(3)10-6-7-11-18-12-14-8-4-5-9-15(14)16/h4-5,8-9,13H,6-7,10-12H2,1-3H3.
What are the key properties of 4-[(2-fluorophenyl)methoxy]-N-methyl-N-propan-2-ylbutan-1-amine?
4-[(2-fluorophenyl)methoxy]-N-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methoxy]-N-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 20662454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).