1-(4-fluorophenyl)-3-methyl-N-(3-phenylpropyl)butan-2-amine

C20H26FN — CID 155119486

IUPAC1-(4-fluorophenyl)-3-methyl-N-(3-phenylpropyl)butan-2-amine
SMILESCC(C)C(Cc1ccc(F)cc1)NCCCc1ccccc1
InChIInChI=1S/C20H26FN/c1-16(2)20(15-18-10-12-19(21)13-11-18)22-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13,16,20,22H,6,9,14-15H2,1-2H3
InChIKeyYZJACRGBVRVZED-UHFFFAOYSA-N
MW299.43 g/mol
LogP4.62
Rot. Bonds8

About 1-(4-fluorophenyl)-3-methyl-N-(3-phenylpropyl)butan-2-amine

1-(4-fluorophenyl)-3-methyl-N-(3-phenylpropyl)butan-2-amine (PubChem CID 155119486) has the molecular formula C20H26FN and a molecular weight of 299.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methyl-N-(3-phenylpropyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methyl-N-(3-phenylpropyl)butan-2-amine
PubChem CID155119486
Molecular FormulaC20H26FN
Molecular Weight299.43 g/mol
Exact Mass299.20
IUPAC Name1-(4-fluorophenyl)-3-methyl-N-(3-phenylpropyl)butan-2-amine
SMILESCC(C)C(Cc1ccc(F)cc1)NCCCc1ccccc1
InChIInChI=1S/C20H26FN/c1-16(2)20(15-18-10-12-19(21)13-11-18)22-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13,16,20,22H,6,9,14-15H2,1-2H3
InChIKeyYZJACRGBVRVZED-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-(4-fluorophenyl)-3-methyl-N-(3-phenylpropyl)butan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-3-methyl-N-(3-phenylpropyl)butan-2-amine (CID 155119486) is 1-(4-fluorophenyl)-3-methyl-N-(3-phenylpropyl)butan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methyl-N-(3-phenylpropyl)butan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-3-methyl-N-(3-phenylpropyl)butan-2-amine is CC(C)C(Cc1ccc(F)cc1)NCCCc1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-methyl-N-(3-phenylpropyl)butan-2-amine?
The InChIKey is YZJACRGBVRVZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN/c1-16(2)20(15-18-10-12-19(21)13-11-18)22-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13,16,20,22H,6,9,14-15H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-methyl-N-(3-phenylpropyl)butan-2-amine?
1-(4-fluorophenyl)-3-methyl-N-(3-phenylpropyl)butan-2-amine has a molecular weight of 299.43 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methyl-N-(3-phenylpropyl)butan-2-amine is sourced from PubChem (CID 155119486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).