N-[2-(2-methylphenoxy)ethyl]-4-(3-phenylpropoxy)aniline

C24H27NO2 — CID 54801188

IUPACN-[2-(2-methylphenoxy)ethyl]-4-(3-phenylpropoxy)aniline
SMILESCc1ccccc1OCCNc1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C24H27NO2/c1-20-8-5-6-12-24(20)27-19-17-25-22-13-15-23(16-14-22)26-18-7-11-21-9-3-2-4-10-21/h2-6,8-10,12-16,25H,7,11,17-19H2,1H3
InChIKeyYVJPZPPZPQMCRE-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.50
Rot. Bonds10

About N-[2-(2-methylphenoxy)ethyl]-4-(3-phenylpropoxy)aniline

N-[2-(2-methylphenoxy)ethyl]-4-(3-phenylpropoxy)aniline (PubChem CID 54801188) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[2-(2-methylphenoxy)ethyl]-4-(3-phenylpropoxy)aniline.

Molecular Properties

Compound NameN-[2-(2-methylphenoxy)ethyl]-4-(3-phenylpropoxy)aniline
PubChem CID54801188
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-[2-(2-methylphenoxy)ethyl]-4-(3-phenylpropoxy)aniline
SMILESCc1ccccc1OCCNc1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C24H27NO2/c1-20-8-5-6-12-24(20)27-19-17-25-22-13-15-23(16-14-22)26-18-7-11-21-9-3-2-4-10-21/h2-6,8-10,12-16,25H,7,11,17-19H2,1H3
InChIKeyYVJPZPPZPQMCRE-UHFFFAOYSA-N
XLogP5.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

N-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
CID 54800205
N-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
CID 54800211
3-butoxy-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54800729
3-[4-(2-phenylethoxy)anilino]propan-1-ol
CID 143523886
N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(3-phenylpropoxy)aniline
CID 54801896
4-fluoro-N-[4-(2-methylphenoxy)butyl]aniline
CID 82095998
N-[3-(2-chlorophenyl)propyl]-4-(3-phenylpropoxy)aniline
CID 54801149
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline
CID 54801419
N-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-phenylethoxy)aniline
CID 54802531
N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
CID 54800197
N-[2-[4-(4-aminobutyl)phenoxy]ethyl]aniline
CID 21031130
4-butoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline
CID 54799245

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenoxy)ethyl]-4-(3-phenylpropoxy)aniline?
The IUPAC name of N-[2-(2-methylphenoxy)ethyl]-4-(3-phenylpropoxy)aniline (CID 54801188) is N-[2-(2-methylphenoxy)ethyl]-4-(3-phenylpropoxy)aniline.
What is the SMILES notation for N-[2-(2-methylphenoxy)ethyl]-4-(3-phenylpropoxy)aniline?
The canonical SMILES for N-[2-(2-methylphenoxy)ethyl]-4-(3-phenylpropoxy)aniline is Cc1ccccc1OCCNc1ccc(OCCCc2ccccc2)cc1.
What is the InChIKey of N-[2-(2-methylphenoxy)ethyl]-4-(3-phenylpropoxy)aniline?
The InChIKey is YVJPZPPZPQMCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-20-8-5-6-12-24(20)27-19-17-25-22-13-15-23(16-14-22)26-18-7-11-21-9-3-2-4-10-21/h2-6,8-10,12-16,25H,7,11,17-19H2,1H3.
What are the key properties of N-[2-(2-methylphenoxy)ethyl]-4-(3-phenylpropoxy)aniline?
N-[2-(2-methylphenoxy)ethyl]-4-(3-phenylpropoxy)aniline has a molecular weight of 361.49 g/mol, XLogP of 5.50, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenoxy)ethyl]-4-(3-phenylpropoxy)aniline is sourced from PubChem (CID 54801188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).