N-[2-(2-butan-2-ylphenoxy)ethyl]-2,4-dimethylaniline

C20H27NO — CID 54796234

IUPACN-[2-(2-butan-2-ylphenoxy)ethyl]-2,4-dimethylaniline
SMILESCCC(C)c1ccccc1OCCNc1ccc(C)cc1C
InChIInChI=1S/C20H27NO/c1-5-16(3)18-8-6-7-9-20(18)22-13-12-21-19-11-10-15(2)14-17(19)4/h6-11,14,16,21H,5,12-13H2,1-4H3
InChIKeyFSUGDWKGJLREAH-UHFFFAOYSA-N
MW297.44 g/mol
LogP5.31
Rot. Bonds7

About N-[2-(2-butan-2-ylphenoxy)ethyl]-2,4-dimethylaniline

N-[2-(2-butan-2-ylphenoxy)ethyl]-2,4-dimethylaniline (PubChem CID 54796234) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[2-(2-butan-2-ylphenoxy)ethyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[2-(2-butan-2-ylphenoxy)ethyl]-2,4-dimethylaniline
PubChem CID54796234
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN-[2-(2-butan-2-ylphenoxy)ethyl]-2,4-dimethylaniline
SMILESCCC(C)c1ccccc1OCCNc1ccc(C)cc1C
InChIInChI=1S/C20H27NO/c1-5-16(3)18-8-6-7-9-20(18)22-13-12-21-19-11-10-15(2)14-17(19)4/h6-11,14,16,21H,5,12-13H2,1-4H3
InChIKeyFSUGDWKGJLREAH-UHFFFAOYSA-N
XLogP5.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.44
LogP ≤ 55.31
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-[2-(2-butan-2-ylphenoxy)ethyl]-5-chloro-2-methylaniline
CID 54798469
N-[2-(2-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline
CID 54798092
N-[2-(2-butan-2-ylphenoxy)ethyl]-2,4,5-trichloroaniline
CID 54797761
N-[2-(2-butan-2-ylphenoxy)ethyl]-2-butoxyaniline
CID 54801693
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 25400217
N-[2-(2-butan-2-ylphenoxy)ethyl]-3-chloro-4-methylaniline
CID 54797632
N-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline
CID 54796581
N-[2-(2-butan-2-ylphenoxy)ethyl]-2,3-dichloroaniline
CID 54797877
N-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline
CID 54802500
N-[3-(2-butan-2-ylphenoxy)propyl]butan-1-amine
CID 2923717
N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine
CID 2299738
N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine
CID 2923118

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-butan-2-ylphenoxy)ethyl]-2,4-dimethylaniline?
The IUPAC name of N-[2-(2-butan-2-ylphenoxy)ethyl]-2,4-dimethylaniline (CID 54796234) is N-[2-(2-butan-2-ylphenoxy)ethyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[2-(2-butan-2-ylphenoxy)ethyl]-2,4-dimethylaniline?
The canonical SMILES for N-[2-(2-butan-2-ylphenoxy)ethyl]-2,4-dimethylaniline is CCC(C)c1ccccc1OCCNc1ccc(C)cc1C.
What is the InChIKey of N-[2-(2-butan-2-ylphenoxy)ethyl]-2,4-dimethylaniline?
The InChIKey is FSUGDWKGJLREAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-5-16(3)18-8-6-7-9-20(18)22-13-12-21-19-11-10-15(2)14-17(19)4/h6-11,14,16,21H,5,12-13H2,1-4H3.
What are the key properties of N-[2-(2-butan-2-ylphenoxy)ethyl]-2,4-dimethylaniline?
N-[2-(2-butan-2-ylphenoxy)ethyl]-2,4-dimethylaniline has a molecular weight of 297.44 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-butan-2-ylphenoxy)ethyl]-2,4-dimethylaniline is sourced from PubChem (CID 54796234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).