4-[[4-(dimethylamino)phenyl]methyl]-N-phenylnaphthalen-1-amine;hydrochloride

C25H25ClN2 — CID 173140957

IUPAC4-[[4-(dimethylamino)phenyl]methyl]-N-phenylnaphthalen-1-amine;hydrochloride
SMILESCN(C)c1ccc(Cc2ccc(Nc3ccccc3)c3ccccc23)cc1.Cl
InChIInChI=1S/C25H24N2.ClH/c1-27(2)22-15-12-19(13-16-22)18-20-14-17-25(24-11-7-6-10-23(20)24)26-21-8-4-3-5-9-21;/h3-17,26H,18H2,1-2H3;1H
InChIKeyZRBAQYNUWLWMKA-UHFFFAOYSA-N
MW388.94 g/mol
LogP6.66
Rot. Bonds5

About 4-[[4-(dimethylamino)phenyl]methyl]-N-phenylnaphthalen-1-amine;hydrochloride

4-[[4-(dimethylamino)phenyl]methyl]-N-phenylnaphthalen-1-amine;hydrochloride (PubChem CID 173140957) has the molecular formula C25H25ClN2 and a molecular weight of 388.94 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]methyl]-N-phenylnaphthalen-1-amine;hydrochloride.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]methyl]-N-phenylnaphthalen-1-amine;hydrochloride
PubChem CID173140957
Molecular FormulaC25H25ClN2
Molecular Weight388.94 g/mol
Exact Mass388.17
IUPAC Name4-[[4-(dimethylamino)phenyl]methyl]-N-phenylnaphthalen-1-amine;hydrochloride
SMILESCN(C)c1ccc(Cc2ccc(Nc3ccccc3)c3ccccc23)cc1.Cl
InChIInChI=1S/C25H24N2.ClH/c1-27(2)22-15-12-19(13-16-22)18-20-14-17-25(24-11-7-6-10-23(20)24)26-21-8-4-3-5-9-21;/h3-17,26H,18H2,1-2H3;1H
InChIKeyZRBAQYNUWLWMKA-UHFFFAOYSA-N
XLogP6.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.94
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]methyl]-N-phenylnaphthalen-1-amine;hydrochloride?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]methyl]-N-phenylnaphthalen-1-amine;hydrochloride (CID 173140957) is 4-[[4-(dimethylamino)phenyl]methyl]-N-phenylnaphthalen-1-amine;hydrochloride.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]methyl]-N-phenylnaphthalen-1-amine;hydrochloride?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]methyl]-N-phenylnaphthalen-1-amine;hydrochloride is CN(C)c1ccc(Cc2ccc(Nc3ccccc3)c3ccccc23)cc1.Cl.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]methyl]-N-phenylnaphthalen-1-amine;hydrochloride?
The InChIKey is ZRBAQYNUWLWMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2.ClH/c1-27(2)22-15-12-19(13-16-22)18-20-14-17-25(24-11-7-6-10-23(20)24)26-21-8-4-3-5-9-21;/h3-17,26H,18H2,1-2H3;1H.
What are the key properties of 4-[[4-(dimethylamino)phenyl]methyl]-N-phenylnaphthalen-1-amine;hydrochloride?
4-[[4-(dimethylamino)phenyl]methyl]-N-phenylnaphthalen-1-amine;hydrochloride has a molecular weight of 388.94 g/mol, XLogP of 6.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]methyl]-N-phenylnaphthalen-1-amine;hydrochloride is sourced from PubChem (CID 173140957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).