1-(4-fluorophenyl)-N'-(2-naphthalen-2-ylethyl)propane-1,3-diamine

C21H23FN2 — CID 10041821

IUPAC1-(4-fluorophenyl)-N'-(2-naphthalen-2-ylethyl)propane-1,3-diamine
SMILESNC(CCNCCc1ccc2ccccc2c1)c1ccc(F)cc1
InChIInChI=1S/C21H23FN2/c22-20-9-7-18(8-10-20)21(23)12-14-24-13-11-16-5-6-17-3-1-2-4-19(17)15-16/h1-10,15,21,24H,11-14,23H2
InChIKeyZXIQDWXYXQHLIP-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.20
Rot. Bonds7

About 1-(4-fluorophenyl)-N'-(2-naphthalen-2-ylethyl)propane-1,3-diamine

1-(4-fluorophenyl)-N'-(2-naphthalen-2-ylethyl)propane-1,3-diamine (PubChem CID 10041821) has the molecular formula C21H23FN2 and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N'-(2-naphthalen-2-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N'-(2-naphthalen-2-ylethyl)propane-1,3-diamine
PubChem CID10041821
Molecular FormulaC21H23FN2
Molecular Weight322.43 g/mol
Exact Mass322.18
IUPAC Name1-(4-fluorophenyl)-N'-(2-naphthalen-2-ylethyl)propane-1,3-diamine
SMILESNC(CCNCCc1ccc2ccccc2c1)c1ccc(F)cc1
InChIInChI=1S/C21H23FN2/c22-20-9-7-18(8-10-20)21(23)12-14-24-13-11-16-5-6-17-3-1-2-4-19(17)15-16/h1-10,15,21,24H,11-14,23H2
InChIKeyZXIQDWXYXQHLIP-UHFFFAOYSA-N
XLogP4.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.20
H-Bond Donors ≤ 52
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 1-(4-fluorophenyl)-N'-(2-naphthalen-2-ylethyl)propane-1,3-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N'-(2-naphthalen-2-ylethyl)propane-1,3-diamine (CID 10041821) is 1-(4-fluorophenyl)-N'-(2-naphthalen-2-ylethyl)propane-1,3-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N'-(2-naphthalen-2-ylethyl)propane-1,3-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N'-(2-naphthalen-2-ylethyl)propane-1,3-diamine is NC(CCNCCc1ccc2ccccc2c1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N'-(2-naphthalen-2-ylethyl)propane-1,3-diamine?
The InChIKey is ZXIQDWXYXQHLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2/c22-20-9-7-18(8-10-20)21(23)12-14-24-13-11-16-5-6-17-3-1-2-4-19(17)15-16/h1-10,15,21,24H,11-14,23H2.
What are the key properties of 1-(4-fluorophenyl)-N'-(2-naphthalen-2-ylethyl)propane-1,3-diamine?
1-(4-fluorophenyl)-N'-(2-naphthalen-2-ylethyl)propane-1,3-diamine has a molecular weight of 322.43 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N'-(2-naphthalen-2-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 10041821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).