2-[ethyl(2-methylbutyl)amino]-5-fluorobenzaldehyde

C14H20FNO — CID 79477155

IUPAC2-[ethyl(2-methylbutyl)amino]-5-fluorobenzaldehyde
SMILESCCC(C)CN(CC)c1ccc(F)cc1C=O
InChIInChI=1S/C14H20FNO/c1-4-11(3)9-16(5-2)14-7-6-13(15)8-12(14)10-17/h6-8,10-11H,4-5,9H2,1-3H3
InChIKeyUNSDWMPYQHMVQX-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.51
Rot. Bonds6

About 2-[ethyl(2-methylbutyl)amino]-5-fluorobenzaldehyde

2-[ethyl(2-methylbutyl)amino]-5-fluorobenzaldehyde (PubChem CID 79477155) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[ethyl(2-methylbutyl)amino]-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[ethyl(2-methylbutyl)amino]-5-fluorobenzaldehyde
PubChem CID79477155
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-[ethyl(2-methylbutyl)amino]-5-fluorobenzaldehyde
SMILESCCC(C)CN(CC)c1ccc(F)cc1C=O
InChIInChI=1S/C14H20FNO/c1-4-11(3)9-16(5-2)14-7-6-13(15)8-12(14)10-17/h6-8,10-11H,4-5,9H2,1-3H3
InChIKeyUNSDWMPYQHMVQX-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylbutyl)amino]-5-fluorobenzaldehyde?
The IUPAC name of 2-[ethyl(2-methylbutyl)amino]-5-fluorobenzaldehyde (CID 79477155) is 2-[ethyl(2-methylbutyl)amino]-5-fluorobenzaldehyde.
What is the SMILES notation for 2-[ethyl(2-methylbutyl)amino]-5-fluorobenzaldehyde?
The canonical SMILES for 2-[ethyl(2-methylbutyl)amino]-5-fluorobenzaldehyde is CCC(C)CN(CC)c1ccc(F)cc1C=O.
What is the InChIKey of 2-[ethyl(2-methylbutyl)amino]-5-fluorobenzaldehyde?
The InChIKey is UNSDWMPYQHMVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-4-11(3)9-16(5-2)14-7-6-13(15)8-12(14)10-17/h6-8,10-11H,4-5,9H2,1-3H3.
What are the key properties of 2-[ethyl(2-methylbutyl)amino]-5-fluorobenzaldehyde?
2-[ethyl(2-methylbutyl)amino]-5-fluorobenzaldehyde has a molecular weight of 237.32 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylbutyl)amino]-5-fluorobenzaldehyde is sourced from PubChem (CID 79477155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).