N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-3-propan-2-yloxyaniline

C22H31NO2 — CID 54802909

IUPACN-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-3-propan-2-yloxyaniline
SMILESCCC(C)(C)c1ccc(OCCNc2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C22H31NO2/c1-6-22(4,5)18-10-12-20(13-11-18)24-15-14-23-19-8-7-9-21(16-19)25-17(2)3/h7-13,16-17,23H,6,14-15H2,1-5H3
InChIKeyPUDGEPMMMWJCJB-UHFFFAOYSA-N
MW341.50 g/mol
LogP5.65
Rot. Bonds9

About N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-3-propan-2-yloxyaniline

N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-3-propan-2-yloxyaniline (PubChem CID 54802909) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-3-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-3-propan-2-yloxyaniline
PubChem CID54802909
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC NameN-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-3-propan-2-yloxyaniline
SMILESCCC(C)(C)c1ccc(OCCNc2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C22H31NO2/c1-6-22(4,5)18-10-12-20(13-11-18)24-15-14-23-19-8-7-9-21(16-19)25-17(2)3/h7-13,16-17,23H,6,14-15H2,1-5H3
InChIKeyPUDGEPMMMWJCJB-UHFFFAOYSA-N
XLogP5.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 55.65
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-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802827
N-[2-(4-chlorophenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802913
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-2-propan-2-yloxyaniline
CID 54802429
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline
CID 54799086
N-[2-(3-methylphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802915
N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802477
N-[2-(4-tert-butylphenoxy)ethyl]-3-(2-methoxyethoxy)aniline
CID 54803038
3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline
CID 54802754
N-(3-hexoxyphenyl)-N'-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808523
N'-(3-hexoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808553
N'-[3-(3-methylbutoxy)phenyl]-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808037
3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54803079

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-3-propan-2-yloxyaniline?
The IUPAC name of N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-3-propan-2-yloxyaniline (CID 54802909) is N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-3-propan-2-yloxyaniline.
What is the SMILES notation for N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-3-propan-2-yloxyaniline?
The canonical SMILES for N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-3-propan-2-yloxyaniline is CCC(C)(C)c1ccc(OCCNc2cccc(OC(C)C)c2)cc1.
What is the InChIKey of N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-3-propan-2-yloxyaniline?
The InChIKey is PUDGEPMMMWJCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-6-22(4,5)18-10-12-20(13-11-18)24-15-14-23-19-8-7-9-21(16-19)25-17(2)3/h7-13,16-17,23H,6,14-15H2,1-5H3.
What are the key properties of N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-3-propan-2-yloxyaniline?
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-3-propan-2-yloxyaniline has a molecular weight of 341.50 g/mol, XLogP of 5.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-3-propan-2-yloxyaniline is sourced from PubChem (CID 54802909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).