3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine

C23H23F2NO — CID 4017415

IUPAC3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(CCNCc2ccccc2F)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H23F2NO/c1-27-21-12-8-18(9-13-21)22(17-6-10-20(24)11-7-17)14-15-26-16-19-4-2-3-5-23(19)25/h2-13,22,26H,14-16H2,1H3
InChIKeyKQVIYHJSXGPHKZ-UHFFFAOYSA-N
MW367.44 g/mol
LogP5.29
Rot. Bonds8

About 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine

3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine (PubChem CID 4017415) has the molecular formula C23H23F2NO and a molecular weight of 367.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine
PubChem CID4017415
Molecular FormulaC23H23F2NO
Molecular Weight367.44 g/mol
Exact Mass367.17
IUPAC Name3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(CCNCc2ccccc2F)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H23F2NO/c1-27-21-12-8-18(9-13-21)22(17-6-10-20(24)11-7-17)14-15-26-16-19-4-2-3-5-23(19)25/h2-13,22,26H,14-16H2,1H3
InChIKeyKQVIYHJSXGPHKZ-UHFFFAOYSA-N
XLogP5.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.44
LogP ≤ 55.29
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 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine (CID 4017415) is 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine is COc1ccc(C(CCNCc2ccccc2F)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine?
The InChIKey is KQVIYHJSXGPHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2NO/c1-27-21-12-8-18(9-13-21)22(17-6-10-20(24)11-7-17)14-15-26-16-19-4-2-3-5-23(19)25/h2-13,22,26H,14-16H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine?
3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine has a molecular weight of 367.44 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 4017415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).