4-naphthalen-2-yl-N-(4-phenylbutyl)aniline

C26H25N — CID 58008284

IUPAC4-naphthalen-2-yl-N-(4-phenylbutyl)aniline
SMILESc1ccc(CCCCNc2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C26H25N/c1-2-8-21(9-3-1)10-6-7-19-27-26-17-15-23(16-18-26)25-14-13-22-11-4-5-12-24(22)20-25/h1-5,8-9,11-18,20,27H,6-7,10,19H2
InChIKeyCBVDCFBPRNMCCI-UHFFFAOYSA-N
MW351.49 g/mol
LogP6.94
Rot. Bonds7

About 4-naphthalen-2-yl-N-(4-phenylbutyl)aniline

4-naphthalen-2-yl-N-(4-phenylbutyl)aniline (PubChem CID 58008284) has the molecular formula C26H25N and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-(4-phenylbutyl)aniline.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-(4-phenylbutyl)aniline
PubChem CID58008284
Molecular FormulaC26H25N
Molecular Weight351.49 g/mol
Exact Mass351.20
IUPAC Name4-naphthalen-2-yl-N-(4-phenylbutyl)aniline
SMILESc1ccc(CCCCNc2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C26H25N/c1-2-8-21(9-3-1)10-6-7-19-27-26-17-15-23(16-18-26)25-14-13-22-11-4-5-12-24(22)20-25/h1-5,8-9,11-18,20,27H,6-7,10,19H2
InChIKeyCBVDCFBPRNMCCI-UHFFFAOYSA-N
XLogP6.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 56.94
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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Related Compounds

N-(4-phenylbutyl)naphthalen-2-amine
CID 114333200
4-tert-butyl-N-(4-phenylbutyl)aniline
CID 114333099
3-(4-naphthalen-2-ylphenyl)propan-1-ol
CID 145097669
4-phenoxy-N-(3-phenylpropyl)aniline
CID 39430776
4-(10-phenyldecylamino)benzoic acid
CID 13079660
3,5-dimethoxy-N-(4-phenylbutyl)aniline
CID 114333116
3-bromo-4-methyl-N-(4-phenylbutyl)aniline
CID 114333358
N-(3-naphthalen-2-ylpropyl)-3-phenylpropan-1-amine
CID 67834954
3-ethyl-N-(4-phenylbutyl)aniline
CID 114333153
N-hexadecylnaphthalen-2-amine
CID 12796089
4-pentyl-N-(2-phenylethyl)aniline
CID 29284918
N'-naphthalen-2-ylhexane-1,6-diamine
CID 83955962

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-(4-phenylbutyl)aniline?
The IUPAC name of 4-naphthalen-2-yl-N-(4-phenylbutyl)aniline (CID 58008284) is 4-naphthalen-2-yl-N-(4-phenylbutyl)aniline.
What is the SMILES notation for 4-naphthalen-2-yl-N-(4-phenylbutyl)aniline?
The canonical SMILES for 4-naphthalen-2-yl-N-(4-phenylbutyl)aniline is c1ccc(CCCCNc2ccc(-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-N-(4-phenylbutyl)aniline?
The InChIKey is CBVDCFBPRNMCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N/c1-2-8-21(9-3-1)10-6-7-19-27-26-17-15-23(16-18-26)25-14-13-22-11-4-5-12-24(22)20-25/h1-5,8-9,11-18,20,27H,6-7,10,19H2.
What are the key properties of 4-naphthalen-2-yl-N-(4-phenylbutyl)aniline?
4-naphthalen-2-yl-N-(4-phenylbutyl)aniline has a molecular weight of 351.49 g/mol, XLogP of 6.94, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-N-(4-phenylbutyl)aniline is sourced from PubChem (CID 58008284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).