3,5-dimethyl-N-(4-phenoxybutyl)aniline

C18H23NO — CID 82096327

IUPAC3,5-dimethyl-N-(4-phenoxybutyl)aniline
SMILESCc1cc(C)cc(NCCCCOc2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-15-12-16(2)14-17(13-15)19-10-6-7-11-20-18-8-4-3-5-9-18/h3-5,8-9,12-14,19H,6-7,10-11H2,1-2H3
InChIKeyUPHKYCMGOMSJJA-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.57
Rot. Bonds7

About 3,5-dimethyl-N-(4-phenoxybutyl)aniline

3,5-dimethyl-N-(4-phenoxybutyl)aniline (PubChem CID 82096327) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-(4-phenoxybutyl)aniline.

Molecular Properties

Compound Name3,5-dimethyl-N-(4-phenoxybutyl)aniline
PubChem CID82096327
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3,5-dimethyl-N-(4-phenoxybutyl)aniline
SMILESCc1cc(C)cc(NCCCCOc2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-15-12-16(2)14-17(13-15)19-10-6-7-11-20-18-8-4-3-5-9-18/h3-5,8-9,12-14,19H,6-7,10-11H2,1-2H3
InChIKeyUPHKYCMGOMSJJA-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylphenoxy)butyl]aniline
CID 82096490
4-bromo-3,5-dimethyl-N-(2-phenoxyethyl)aniline
CID 107573411
3-chloro-4-methyl-N-(3-phenoxypropyl)aniline
CID 63489969
N-[2-(3,5-dimethylphenoxy)ethyl]-4-phenoxyaniline
CID 54796472
N-hexyl-4-(2-phenoxyethoxy)aniline
CID 54799916
3,4-dimethyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82095952
3-chloro-4-fluoro-N-(4-phenoxybutyl)aniline
CID 82095796
3-chloro-N-[4-(4-methylphenoxy)butyl]aniline
CID 82096501
3-methyl-4-nitro-N-(3-phenoxypropyl)aniline
CID 60969199
2-(3,5-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54813315
4-[4-(2-phenoxyethoxy)anilino]butan-1-ol
CID 54803419
N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(4-phenoxybutyl)aniline?
The IUPAC name of 3,5-dimethyl-N-(4-phenoxybutyl)aniline (CID 82096327) is 3,5-dimethyl-N-(4-phenoxybutyl)aniline.
What is the SMILES notation for 3,5-dimethyl-N-(4-phenoxybutyl)aniline?
The canonical SMILES for 3,5-dimethyl-N-(4-phenoxybutyl)aniline is Cc1cc(C)cc(NCCCCOc2ccccc2)c1.
What is the InChIKey of 3,5-dimethyl-N-(4-phenoxybutyl)aniline?
The InChIKey is UPHKYCMGOMSJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-15-12-16(2)14-17(13-15)19-10-6-7-11-20-18-8-4-3-5-9-18/h3-5,8-9,12-14,19H,6-7,10-11H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(4-phenoxybutyl)aniline?
3,5-dimethyl-N-(4-phenoxybutyl)aniline has a molecular weight of 269.39 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(4-phenoxybutyl)aniline is sourced from PubChem (CID 82096327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).