N-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine

C15H25NO — CID 113231354

IUPACN-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine
SMILESCCOCCNC(C)(C)CCc1ccccc1
InChIInChI=1S/C15H25NO/c1-4-17-13-12-16-15(2,3)11-10-14-8-6-5-7-9-14/h5-9,16H,4,10-13H2,1-3H3
InChIKeyLAZJOAPWHCUZID-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.02
Rot. Bonds8

About N-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine

N-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine (PubChem CID 113231354) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine
PubChem CID113231354
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine
SMILESCCOCCNC(C)(C)CCc1ccccc1
InChIInChI=1S/C15H25NO/c1-4-17-13-12-16-15(2,3)11-10-14-8-6-5-7-9-14/h5-9,16H,4,10-13H2,1-3H3
InChIKeyLAZJOAPWHCUZID-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.02
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-methyl-4-phenylbutan-2-yl)hexan-1-amine
CID 113472369
2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine
CID 114448948
N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine
CID 115997324
2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide
CID 115690814
N-butyl-2-methyl-4-(4-phenylphenyl)butan-2-amine
CID 138685115
N-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide
CID 103822680
2-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 115690821
2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol
CID 115690807
3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol
CID 12855751
2,2-dimethyl-6-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile
CID 106709606
[5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene
CID 174996327
1-(2-ethoxyethyl)-4-phenylbenzene
CID 70520458

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine?
The IUPAC name of N-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine (CID 113231354) is N-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine?
The canonical SMILES for N-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine is CCOCCNC(C)(C)CCc1ccccc1.
What is the InChIKey of N-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine?
The InChIKey is LAZJOAPWHCUZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-17-13-12-16-15(2,3)11-10-14-8-6-5-7-9-14/h5-9,16H,4,10-13H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine?
N-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine is sourced from PubChem (CID 113231354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).