1-(4-fluorophenyl)-N'-(3-naphthalen-1-ylpropyl)methanediamine

C20H21FN2 — CID 19996186

IUPAC1-(4-fluorophenyl)-N'-(3-naphthalen-1-ylpropyl)methanediamine
SMILESNC(NCCCc1cccc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2/c21-18-12-10-17(11-13-18)20(22)23-14-4-8-16-7-3-6-15-5-1-2-9-19(15)16/h1-3,5-7,9-13,20,23H,4,8,14,22H2
InChIKeyWGHNFWOVDTUAEG-UHFFFAOYSA-N
MW308.40 g/mol
LogP4.16
Rot. Bonds6

About 1-(4-fluorophenyl)-N'-(3-naphthalen-1-ylpropyl)methanediamine

1-(4-fluorophenyl)-N'-(3-naphthalen-1-ylpropyl)methanediamine (PubChem CID 19996186) has the molecular formula C20H21FN2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N'-(3-naphthalen-1-ylpropyl)methanediamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N'-(3-naphthalen-1-ylpropyl)methanediamine
PubChem CID19996186
Molecular FormulaC20H21FN2
Molecular Weight308.40 g/mol
Exact Mass308.17
IUPAC Name1-(4-fluorophenyl)-N'-(3-naphthalen-1-ylpropyl)methanediamine
SMILESNC(NCCCc1cccc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2/c21-18-12-10-17(11-13-18)20(22)23-14-4-8-16-7-3-6-15-5-1-2-9-19(15)16/h1-3,5-7,9-13,20,23H,4,8,14,22H2
InChIKeyWGHNFWOVDTUAEG-UHFFFAOYSA-N
XLogP4.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N'-(3-naphthalen-1-ylpropyl)methanediamine?
The IUPAC name of 1-(4-fluorophenyl)-N'-(3-naphthalen-1-ylpropyl)methanediamine (CID 19996186) is 1-(4-fluorophenyl)-N'-(3-naphthalen-1-ylpropyl)methanediamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N'-(3-naphthalen-1-ylpropyl)methanediamine?
The canonical SMILES for 1-(4-fluorophenyl)-N'-(3-naphthalen-1-ylpropyl)methanediamine is NC(NCCCc1cccc2ccccc12)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N'-(3-naphthalen-1-ylpropyl)methanediamine?
The InChIKey is WGHNFWOVDTUAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2/c21-18-12-10-17(11-13-18)20(22)23-14-4-8-16-7-3-6-15-5-1-2-9-19(15)16/h1-3,5-7,9-13,20,23H,4,8,14,22H2.
What are the key properties of 1-(4-fluorophenyl)-N'-(3-naphthalen-1-ylpropyl)methanediamine?
1-(4-fluorophenyl)-N'-(3-naphthalen-1-ylpropyl)methanediamine has a molecular weight of 308.40 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N'-(3-naphthalen-1-ylpropyl)methanediamine is sourced from PubChem (CID 19996186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).