N-[1-(2-decylphenyl)ethyl]-4-methoxyaniline

C25H37NO — CID 135058306

IUPACN-[1-(2-decylphenyl)ethyl]-4-methoxyaniline
SMILESCCCCCCCCCCc1ccccc1C(C)Nc1ccc(OC)cc1
InChIInChI=1S/C25H37NO/c1-4-5-6-7-8-9-10-11-14-22-15-12-13-16-25(22)21(2)26-23-17-19-24(27-3)20-18-23/h12-13,15-21,26H,4-11,14H2,1-3H3
InChIKeyFZSUGXANPSDCPE-UHFFFAOYSA-N
MW367.58 g/mol
LogP7.55
Rot. Bonds13

About N-[1-(2-decylphenyl)ethyl]-4-methoxyaniline

N-[1-(2-decylphenyl)ethyl]-4-methoxyaniline (PubChem CID 135058306) has the molecular formula C25H37NO and a molecular weight of 367.58 g/mol. Its IUPAC name is N-[1-(2-decylphenyl)ethyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[1-(2-decylphenyl)ethyl]-4-methoxyaniline
PubChem CID135058306
Molecular FormulaC25H37NO
Molecular Weight367.58 g/mol
Exact Mass367.29
IUPAC NameN-[1-(2-decylphenyl)ethyl]-4-methoxyaniline
SMILESCCCCCCCCCCc1ccccc1C(C)Nc1ccc(OC)cc1
InChIInChI=1S/C25H37NO/c1-4-5-6-7-8-9-10-11-14-22-15-12-13-16-25(22)21(2)26-23-17-19-24(27-3)20-18-23/h12-13,15-21,26H,4-11,14H2,1-3H3
InChIKeyFZSUGXANPSDCPE-UHFFFAOYSA-N
XLogP7.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.58
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-decylphenyl)ethyl]-4-methoxyaniline?
The IUPAC name of N-[1-(2-decylphenyl)ethyl]-4-methoxyaniline (CID 135058306) is N-[1-(2-decylphenyl)ethyl]-4-methoxyaniline.
What is the SMILES notation for N-[1-(2-decylphenyl)ethyl]-4-methoxyaniline?
The canonical SMILES for N-[1-(2-decylphenyl)ethyl]-4-methoxyaniline is CCCCCCCCCCc1ccccc1C(C)Nc1ccc(OC)cc1.
What is the InChIKey of N-[1-(2-decylphenyl)ethyl]-4-methoxyaniline?
The InChIKey is FZSUGXANPSDCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO/c1-4-5-6-7-8-9-10-11-14-22-15-12-13-16-25(22)21(2)26-23-17-19-24(27-3)20-18-23/h12-13,15-21,26H,4-11,14H2,1-3H3.
What are the key properties of N-[1-(2-decylphenyl)ethyl]-4-methoxyaniline?
N-[1-(2-decylphenyl)ethyl]-4-methoxyaniline has a molecular weight of 367.58 g/mol, XLogP of 7.55, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-decylphenyl)ethyl]-4-methoxyaniline is sourced from PubChem (CID 135058306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).