4-(2-chlorophenyl)-3-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine

C19H23ClFNO — CID 70336294

IUPAC4-(2-chlorophenyl)-3-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCC(Cc1ccccc1Cl)c1cccc(F)c1
InChIInChI=1S/C19H23ClFNO/c1-23-12-11-22-10-9-16(15-6-4-7-18(21)14-15)13-17-5-2-3-8-19(17)20/h2-8,14,16,22H,9-13H2,1H3
InChIKeyCNYZDEBBMXVCQK-UHFFFAOYSA-N
MW335.85 g/mol
LogP4.43
Rot. Bonds9

About 4-(2-chlorophenyl)-3-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine

4-(2-chlorophenyl)-3-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine (PubChem CID 70336294) has the molecular formula C19H23ClFNO and a molecular weight of 335.85 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-3-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine
PubChem CID70336294
Molecular FormulaC19H23ClFNO
Molecular Weight335.85 g/mol
Exact Mass335.15
IUPAC Name4-(2-chlorophenyl)-3-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCC(Cc1ccccc1Cl)c1cccc(F)c1
InChIInChI=1S/C19H23ClFNO/c1-23-12-11-22-10-9-16(15-6-4-7-18(21)14-15)13-17-5-2-3-8-19(17)20/h2-8,14,16,22H,9-13H2,1H3
InChIKeyCNYZDEBBMXVCQK-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.85
LogP ≤ 54.43
H-Bond Donors ≤ 51
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-chlorophenyl)-3-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 4-(2-chlorophenyl)-3-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine (CID 70336294) is 4-(2-chlorophenyl)-3-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-3-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 4-(2-chlorophenyl)-3-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine is COCCNCCC(Cc1ccccc1Cl)c1cccc(F)c1.
What is the InChIKey of 4-(2-chlorophenyl)-3-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is CNYZDEBBMXVCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFNO/c1-23-12-11-22-10-9-16(15-6-4-7-18(21)14-15)13-17-5-2-3-8-19(17)20/h2-8,14,16,22H,9-13H2,1H3.
What are the key properties of 4-(2-chlorophenyl)-3-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine?
4-(2-chlorophenyl)-3-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 335.85 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-3-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 70336294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).