N-(2-ethoxyethyl)-N-[(4-fluorophenyl)methyl]propan-2-amine

C14H22FNO — CID 59028524

IUPACN-(2-ethoxyethyl)-N-[(4-fluorophenyl)methyl]propan-2-amine
SMILESCCOCCN(Cc1ccc(F)cc1)C(C)C
InChIInChI=1S/C14H22FNO/c1-4-17-10-9-16(12(2)3)11-13-5-7-14(15)8-6-13/h5-8,12H,4,9-11H2,1-3H3
InChIKeyCIDDSRYSRXNAHM-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.07
Rot. Bonds7

About N-(2-ethoxyethyl)-N-[(4-fluorophenyl)methyl]propan-2-amine

N-(2-ethoxyethyl)-N-[(4-fluorophenyl)methyl]propan-2-amine (PubChem CID 59028524) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-[(4-fluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-[(4-fluorophenyl)methyl]propan-2-amine
PubChem CID59028524
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-(2-ethoxyethyl)-N-[(4-fluorophenyl)methyl]propan-2-amine
SMILESCCOCCN(Cc1ccc(F)cc1)C(C)C
InChIInChI=1S/C14H22FNO/c1-4-17-10-9-16(12(2)3)11-13-5-7-14(15)8-6-13/h5-8,12H,4,9-11H2,1-3H3
InChIKeyCIDDSRYSRXNAHM-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.07
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 N-(2-ethoxyethyl)-N-[(4-fluorophenyl)methyl]propan-2-amine?
The IUPAC name of N-(2-ethoxyethyl)-N-[(4-fluorophenyl)methyl]propan-2-amine (CID 59028524) is N-(2-ethoxyethyl)-N-[(4-fluorophenyl)methyl]propan-2-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-N-[(4-fluorophenyl)methyl]propan-2-amine?
The canonical SMILES for N-(2-ethoxyethyl)-N-[(4-fluorophenyl)methyl]propan-2-amine is CCOCCN(Cc1ccc(F)cc1)C(C)C.
What is the InChIKey of N-(2-ethoxyethyl)-N-[(4-fluorophenyl)methyl]propan-2-amine?
The InChIKey is CIDDSRYSRXNAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-17-10-9-16(12(2)3)11-13-5-7-14(15)8-6-13/h5-8,12H,4,9-11H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-N-[(4-fluorophenyl)methyl]propan-2-amine?
N-(2-ethoxyethyl)-N-[(4-fluorophenyl)methyl]propan-2-amine has a molecular weight of 239.33 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-[(4-fluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 59028524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).