N-[2-(2-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline

C20H27NO2 — CID 54798092

IUPACN-[2-(2-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline
SMILESCCOc1ccccc1NCCOc1ccccc1C(C)CC
InChIInChI=1S/C20H27NO2/c1-4-16(3)17-10-6-8-12-19(17)23-15-14-21-18-11-7-9-13-20(18)22-5-2/h6-13,16,21H,4-5,14-15H2,1-3H3
InChIKeyQNHIIQIBTUGCDR-UHFFFAOYSA-N
MW313.44 g/mol
LogP5.09
Rot. Bonds9

About N-[2-(2-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline

N-[2-(2-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline (PubChem CID 54798092) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[2-(2-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline.

Molecular Properties

Compound NameN-[2-(2-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline
PubChem CID54798092
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-[2-(2-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline
SMILESCCOc1ccccc1NCCOc1ccccc1C(C)CC
InChIInChI=1S/C20H27NO2/c1-4-16(3)17-10-6-8-12-19(17)23-15-14-21-18-11-7-9-13-20(18)22-5-2/h6-13,16,21H,4-5,14-15H2,1-3H3
InChIKeyQNHIIQIBTUGCDR-UHFFFAOYSA-N
XLogP5.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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]-2-butoxyaniline
CID 54801693
2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54798096
N-[2-(2-butan-2-ylphenoxy)ethyl]-2,3-dichloroaniline
CID 54797877
N-[2-(2-butan-2-ylphenoxy)ethyl]-2,4,5-trichloroaniline
CID 54797761
N-[2-(2-butan-2-ylphenoxy)ethyl]-2,4-dimethylaniline
CID 54796234
N-[2-(2-butan-2-ylphenoxy)ethyl]-5-chloro-2-methylaniline
CID 54798469
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
4-butan-2-yloxy-N-[2-(2-butan-2-ylphenoxy)ethyl]aniline
CID 54802814
N-[2-(2-butan-2-ylphenoxy)ethyl]-4-(2-methylpropoxy)aniline
CID 54799143
N-[2-(2-butan-2-ylphenoxy)ethyl]prop-2-en-1-amine
CID 62572475

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline?
The IUPAC name of N-[2-(2-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline (CID 54798092) is N-[2-(2-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline.
What is the SMILES notation for N-[2-(2-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline?
The canonical SMILES for N-[2-(2-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline is CCOc1ccccc1NCCOc1ccccc1C(C)CC.
What is the InChIKey of N-[2-(2-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline?
The InChIKey is QNHIIQIBTUGCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-4-16(3)17-10-6-8-12-19(17)23-15-14-21-18-11-7-9-13-20(18)22-5-2/h6-13,16,21H,4-5,14-15H2,1-3H3.
What are the key properties of N-[2-(2-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline?
N-[2-(2-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline has a molecular weight of 313.44 g/mol, XLogP of 5.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline is sourced from PubChem (CID 54798092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).