2-(4-methylpentan-2-yloxy)-2-(2-methylphenyl)ethanamine

C15H25NO — CID 55019250

IUPAC2-(4-methylpentan-2-yloxy)-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(CN)OC(C)CC(C)C
InChIInChI=1S/C15H25NO/c1-11(2)9-13(4)17-15(10-16)14-8-6-5-7-12(14)3/h5-8,11,13,15H,9-10,16H2,1-4H3
InChIKeyTXZBIYSPDMSUMB-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.45
Rot. Bonds6

About 2-(4-methylpentan-2-yloxy)-2-(2-methylphenyl)ethanamine

2-(4-methylpentan-2-yloxy)-2-(2-methylphenyl)ethanamine (PubChem CID 55019250) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(4-methylpentan-2-yloxy)-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-methylpentan-2-yloxy)-2-(2-methylphenyl)ethanamine
PubChem CID55019250
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(4-methylpentan-2-yloxy)-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(CN)OC(C)CC(C)C
InChIInChI=1S/C15H25NO/c1-11(2)9-13(4)17-15(10-16)14-8-6-5-7-12(14)3/h5-8,11,13,15H,9-10,16H2,1-4H3
InChIKeyTXZBIYSPDMSUMB-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-2-octan-2-yloxyethanamine
CID 55018718
2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447029
2-(4-methylcyclohexyl)oxy-2-(2-methylphenyl)ethanamine
CID 55019101
2-(2,3-dichlorophenoxy)-2-(2-methylphenyl)ethanamine
CID 55018621
2-[2-amino-1-(2-methylphenyl)ethoxy]benzonitrile
CID 55018955
ethyl (2R)-4-methyl-2-[(2S)-2-(2-methylphenyl)-2-phenylmethoxyethyl]pentanoate
CID 101186253
[(2R,3S)-3-(2-methylphenyl)butan-2-yl] 2-aminoacetate
CID 139473149
1-(1-chloro-4-methylpentan-2-yl)-2-methylbenzene
CID 79419088
3-amino-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide;hydrochloride
CID 119323120
2-(2,4-dibromophenoxy)-2-(2-methylphenyl)ethanamine
CID 64721518
3-(2-methylphenoxy)-3-(2-methylphenyl)propan-1-amine
CID 67124192
2-[fluoro-(2-methylphenyl)methyl]-3-methylbutan-1-amine
CID 107443570

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentan-2-yloxy)-2-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(4-methylpentan-2-yloxy)-2-(2-methylphenyl)ethanamine (CID 55019250) is 2-(4-methylpentan-2-yloxy)-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-methylpentan-2-yloxy)-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-methylpentan-2-yloxy)-2-(2-methylphenyl)ethanamine is Cc1ccccc1C(CN)OC(C)CC(C)C.
What is the InChIKey of 2-(4-methylpentan-2-yloxy)-2-(2-methylphenyl)ethanamine?
The InChIKey is TXZBIYSPDMSUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)9-13(4)17-15(10-16)14-8-6-5-7-12(14)3/h5-8,11,13,15H,9-10,16H2,1-4H3.
What are the key properties of 2-(4-methylpentan-2-yloxy)-2-(2-methylphenyl)ethanamine?
2-(4-methylpentan-2-yloxy)-2-(2-methylphenyl)ethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentan-2-yloxy)-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 55019250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).