ethyl 7-[(4-fluorophenyl)methylamino]-8-methylnonanoate

C19H30FNO2 — CID 14418001

IUPACethyl 7-[(4-fluorophenyl)methylamino]-8-methylnonanoate
SMILESCCOC(=O)CCCCCC(NCc1ccc(F)cc1)C(C)C
InChIInChI=1S/C19H30FNO2/c1-4-23-19(22)9-7-5-6-8-18(15(2)3)21-14-16-10-12-17(20)13-11-16/h10-13,15,18,21H,4-9,14H2,1-3H3
InChIKeyVOWHFIKFCCCCOP-UHFFFAOYSA-N
MW323.45 g/mol
LogP4.45
Rot. Bonds11

About ethyl 7-[(4-fluorophenyl)methylamino]-8-methylnonanoate

ethyl 7-[(4-fluorophenyl)methylamino]-8-methylnonanoate (PubChem CID 14418001) has the molecular formula C19H30FNO2 and a molecular weight of 323.45 g/mol. Its IUPAC name is ethyl 7-[(4-fluorophenyl)methylamino]-8-methylnonanoate.

Molecular Properties

Compound Nameethyl 7-[(4-fluorophenyl)methylamino]-8-methylnonanoate
PubChem CID14418001
Molecular FormulaC19H30FNO2
Molecular Weight323.45 g/mol
Exact Mass323.23
IUPAC Nameethyl 7-[(4-fluorophenyl)methylamino]-8-methylnonanoate
SMILESCCOC(=O)CCCCCC(NCc1ccc(F)cc1)C(C)C
InChIInChI=1S/C19H30FNO2/c1-4-23-19(22)9-7-5-6-8-18(15(2)3)21-14-16-10-12-17(20)13-11-16/h10-13,15,18,21H,4-9,14H2,1-3H3
InChIKeyVOWHFIKFCCCCOP-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 ethyl 7-[(4-fluorophenyl)methylamino]-8-methylnonanoate?
The IUPAC name of ethyl 7-[(4-fluorophenyl)methylamino]-8-methylnonanoate (CID 14418001) is ethyl 7-[(4-fluorophenyl)methylamino]-8-methylnonanoate.
What is the SMILES notation for ethyl 7-[(4-fluorophenyl)methylamino]-8-methylnonanoate?
The canonical SMILES for ethyl 7-[(4-fluorophenyl)methylamino]-8-methylnonanoate is CCOC(=O)CCCCCC(NCc1ccc(F)cc1)C(C)C.
What is the InChIKey of ethyl 7-[(4-fluorophenyl)methylamino]-8-methylnonanoate?
The InChIKey is VOWHFIKFCCCCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FNO2/c1-4-23-19(22)9-7-5-6-8-18(15(2)3)21-14-16-10-12-17(20)13-11-16/h10-13,15,18,21H,4-9,14H2,1-3H3.
What are the key properties of ethyl 7-[(4-fluorophenyl)methylamino]-8-methylnonanoate?
ethyl 7-[(4-fluorophenyl)methylamino]-8-methylnonanoate has a molecular weight of 323.45 g/mol, XLogP of 4.45, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(4-fluorophenyl)methylamino]-8-methylnonanoate is sourced from PubChem (CID 14418001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).