2-methyl-N-[2-(2-methylbutan-2-yloxy)ethyl]aniline

C14H23NO — CID 62598994

IUPAC2-methyl-N-[2-(2-methylbutan-2-yloxy)ethyl]aniline
SMILESCCC(C)(C)OCCNc1ccccc1C
InChIInChI=1S/C14H23NO/c1-5-14(3,4)16-11-10-15-13-9-7-6-8-12(13)2/h6-9,15H,5,10-11H2,1-4H3
InChIKeyFIPKSIVBDDRFLP-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.61
Rot. Bonds6

About 2-methyl-N-[2-(2-methylbutan-2-yloxy)ethyl]aniline

2-methyl-N-[2-(2-methylbutan-2-yloxy)ethyl]aniline (PubChem CID 62598994) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylbutan-2-yloxy)ethyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylbutan-2-yloxy)ethyl]aniline
PubChem CID62598994
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-methyl-N-[2-(2-methylbutan-2-yloxy)ethyl]aniline
SMILESCCC(C)(C)OCCNc1ccccc1C
InChIInChI=1S/C14H23NO/c1-5-14(3,4)16-11-10-15-13-9-7-6-8-12(13)2/h6-9,15H,5,10-11H2,1-4H3
InChIKeyFIPKSIVBDDRFLP-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.61
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

2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline
CID 112590089
N-(6-methoxyhexyl)-2-methylaniline
CID 59493757
2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 60679505
N-[2-(4-ethylphenoxy)ethyl]-2-methylaniline
CID 62572127
N-[2-(2-cyclopropylethoxy)ethyl]-2-methylaniline
CID 106206284
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline
CID 60679438
N-[2-(2-methoxyphenoxy)ethyl]-2-methylaniline
CID 62570750
N-[2-(2-methoxyethylsulfanyl)ethyl]-2-methylaniline
CID 62576577
2-methyl-N-[2-(1-phenylethoxy)ethyl]aniline
CID 55088100
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]aniline
CID 106450230
CID 175798397
CID 175798397
2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 60679514

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylbutan-2-yloxy)ethyl]aniline?
The IUPAC name of 2-methyl-N-[2-(2-methylbutan-2-yloxy)ethyl]aniline (CID 62598994) is 2-methyl-N-[2-(2-methylbutan-2-yloxy)ethyl]aniline.
What is the SMILES notation for 2-methyl-N-[2-(2-methylbutan-2-yloxy)ethyl]aniline?
The canonical SMILES for 2-methyl-N-[2-(2-methylbutan-2-yloxy)ethyl]aniline is CCC(C)(C)OCCNc1ccccc1C.
What is the InChIKey of 2-methyl-N-[2-(2-methylbutan-2-yloxy)ethyl]aniline?
The InChIKey is FIPKSIVBDDRFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-14(3,4)16-11-10-15-13-9-7-6-8-12(13)2/h6-9,15H,5,10-11H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(2-methylbutan-2-yloxy)ethyl]aniline?
2-methyl-N-[2-(2-methylbutan-2-yloxy)ethyl]aniline has a molecular weight of 221.34 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylbutan-2-yloxy)ethyl]aniline is sourced from PubChem (CID 62598994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).