1-[(4-fluorophenyl)methyl]-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide

C26H29BrFN — CID 21251715

IUPAC1-[(4-fluorophenyl)methyl]-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide
SMILESBr.Fc1ccc(CC2c3ccccc3CCC2NCCCc2ccccc2)cc1
InChIInChI=1S/C26H28FN.BrH/c27-23-15-12-21(13-16-23)19-25-24-11-5-4-10-22(24)14-17-26(25)28-18-6-9-20-7-2-1-3-8-20;/h1-5,7-8,10-13,15-16,25-26,28H,6,9,14,17-19H2;1H
InChIKeyIUEFIGGVPNCJGN-UHFFFAOYSA-N
MW454.43 g/mol
LogP6.27
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide

1-[(4-fluorophenyl)methyl]-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide (PubChem CID 21251715) has the molecular formula C26H29BrFN and a molecular weight of 454.43 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide
PubChem CID21251715
Molecular FormulaC26H29BrFN
Molecular Weight454.43 g/mol
Exact Mass453.15
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide
SMILESBr.Fc1ccc(CC2c3ccccc3CCC2NCCCc2ccccc2)cc1
InChIInChI=1S/C26H28FN.BrH/c27-23-15-12-21(13-16-23)19-25-24-11-5-4-10-22(24)14-17-26(25)28-18-6-9-20-7-2-1-3-8-20;/h1-5,7-8,10-13,15-16,25-26,28H,6,9,14,17-19H2;1H
InChIKeyIUEFIGGVPNCJGN-UHFFFAOYSA-N
XLogP6.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.43
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)methyl]-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide (CID 21251715) is 1-[(4-fluorophenyl)methyl]-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide is Br.Fc1ccc(CC2c3ccccc3CCC2NCCCc2ccccc2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide?
The InChIKey is IUEFIGGVPNCJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN.BrH/c27-23-15-12-21(13-16-23)19-25-24-11-5-4-10-22(24)14-17-26(25)28-18-6-9-20-7-2-1-3-8-20;/h1-5,7-8,10-13,15-16,25-26,28H,6,9,14,17-19H2;1H.
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide?
1-[(4-fluorophenyl)methyl]-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide has a molecular weight of 454.43 g/mol, XLogP of 6.27, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide is sourced from PubChem (CID 21251715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).