N-[2-(3-methylphenoxy)butyl]-4-phenylmethoxyaniline

C24H27NO2 — CID 54799482

IUPACN-[2-(3-methylphenoxy)butyl]-4-phenylmethoxyaniline
SMILESCCC(CNc1ccc(OCc2ccccc2)cc1)Oc1cccc(C)c1
InChIInChI=1S/C24H27NO2/c1-3-22(27-24-11-7-8-19(2)16-24)17-25-21-12-14-23(15-13-21)26-18-20-9-5-4-6-10-20/h4-16,22,25H,3,17-18H2,1-2H3
InChIKeyQPIQIRSKGPYOKE-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.84
Rot. Bonds9

About N-[2-(3-methylphenoxy)butyl]-4-phenylmethoxyaniline

N-[2-(3-methylphenoxy)butyl]-4-phenylmethoxyaniline (PubChem CID 54799482) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)butyl]-4-phenylmethoxyaniline.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)butyl]-4-phenylmethoxyaniline
PubChem CID54799482
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-[2-(3-methylphenoxy)butyl]-4-phenylmethoxyaniline
SMILESCCC(CNc1ccc(OCc2ccccc2)cc1)Oc1cccc(C)c1
InChIInChI=1S/C24H27NO2/c1-3-22(27-24-11-7-8-19(2)16-24)17-25-21-12-14-23(15-13-21)26-18-20-9-5-4-6-10-20/h4-16,22,25H,3,17-18H2,1-2H3
InChIKeyQPIQIRSKGPYOKE-UHFFFAOYSA-N
XLogP5.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-4-phenylmethoxyaniline
CID 57172587
2-chloro-N-[2-(3-methylphenoxy)butyl]aniline
CID 54796120
N-ethyl-2-(3-methylphenoxy)butan-1-amine
CID 54798641
2-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 113098761
4-hexoxy-N-[2-(3-methylphenoxy)propyl]aniline
CID 54798879
2-(3,5-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 132659061
3-methyl-N-[4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]phenyl]benzamide
CID 54840284
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(3-methylphenoxy)acetate
CID 7853518
(2S)-3-(4-phenylmethoxyanilino)propane-1,2-diol
CID 13273040
ethyl 2-(4-phenylmethoxyanilino)acetate
CID 3652798
4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126128892
2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide
CID 2944488

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)butyl]-4-phenylmethoxyaniline?
The IUPAC name of N-[2-(3-methylphenoxy)butyl]-4-phenylmethoxyaniline (CID 54799482) is N-[2-(3-methylphenoxy)butyl]-4-phenylmethoxyaniline.
What is the SMILES notation for N-[2-(3-methylphenoxy)butyl]-4-phenylmethoxyaniline?
The canonical SMILES for N-[2-(3-methylphenoxy)butyl]-4-phenylmethoxyaniline is CCC(CNc1ccc(OCc2ccccc2)cc1)Oc1cccc(C)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)butyl]-4-phenylmethoxyaniline?
The InChIKey is QPIQIRSKGPYOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-3-22(27-24-11-7-8-19(2)16-24)17-25-21-12-14-23(15-13-21)26-18-20-9-5-4-6-10-20/h4-16,22,25H,3,17-18H2,1-2H3.
What are the key properties of N-[2-(3-methylphenoxy)butyl]-4-phenylmethoxyaniline?
N-[2-(3-methylphenoxy)butyl]-4-phenylmethoxyaniline has a molecular weight of 361.49 g/mol, XLogP of 5.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)butyl]-4-phenylmethoxyaniline is sourced from PubChem (CID 54799482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).