2-ethyl-N-(2-methoxyethyl)-2-(2-methylphenyl)butan-1-amine

C16H27NO — CID 62596589

IUPAC2-ethyl-N-(2-methoxyethyl)-2-(2-methylphenyl)butan-1-amine
SMILESCCC(CC)(CNCCOC)c1ccccc1C
InChIInChI=1S/C16H27NO/c1-5-16(6-2,13-17-11-12-18-4)15-10-8-7-9-14(15)3/h7-10,17H,5-6,11-13H2,1-4H3
InChIKeyVFUAITJPQODUPG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.29
Rot. Bonds8

About 2-ethyl-N-(2-methoxyethyl)-2-(2-methylphenyl)butan-1-amine

2-ethyl-N-(2-methoxyethyl)-2-(2-methylphenyl)butan-1-amine (PubChem CID 62596589) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-ethyl-N-(2-methoxyethyl)-2-(2-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methoxyethyl)-2-(2-methylphenyl)butan-1-amine
PubChem CID62596589
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-ethyl-N-(2-methoxyethyl)-2-(2-methylphenyl)butan-1-amine
SMILESCCC(CC)(CNCCOC)c1ccccc1C
InChIInChI=1S/C16H27NO/c1-5-16(6-2,13-17-11-12-18-4)15-10-8-7-9-14(15)3/h7-10,17H,5-6,11-13H2,1-4H3
InChIKeyVFUAITJPQODUPG-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.29
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-ethyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 55107234
2-ethyl-N-methyl-2-(2-methylphenyl)butan-1-amine
CID 62594187
2-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 62596985
2-ethyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 62596429
2-ethyl-4-methoxy-2-phenyl-N-propylbutan-1-amine
CID 62725061
2-ethyl-N-(2-methoxyethyl)-2-[(2-methylphenyl)methyl]hexan-1-amine
CID 63508441
2-[(2-bromophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine
CID 62725440
2-(4-fluorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine
CID 62596406
2-ethyl-N-(2-methoxyethyl)-2-methyl-4-phenylsulfanylbutan-1-amine
CID 79227224
N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 62575841
2-cyclopropyl-3-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159632
tert-butyl N-[2-(hydroxymethyl)-2-(2-methylphenyl)butyl]carbamate
CID 106507423

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methoxyethyl)-2-(2-methylphenyl)butan-1-amine?
The IUPAC name of 2-ethyl-N-(2-methoxyethyl)-2-(2-methylphenyl)butan-1-amine (CID 62596589) is 2-ethyl-N-(2-methoxyethyl)-2-(2-methylphenyl)butan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-methoxyethyl)-2-(2-methylphenyl)butan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-methoxyethyl)-2-(2-methylphenyl)butan-1-amine is CCC(CC)(CNCCOC)c1ccccc1C.
What is the InChIKey of 2-ethyl-N-(2-methoxyethyl)-2-(2-methylphenyl)butan-1-amine?
The InChIKey is VFUAITJPQODUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-16(6-2,13-17-11-12-18-4)15-10-8-7-9-14(15)3/h7-10,17H,5-6,11-13H2,1-4H3.
What are the key properties of 2-ethyl-N-(2-methoxyethyl)-2-(2-methylphenyl)butan-1-amine?
2-ethyl-N-(2-methoxyethyl)-2-(2-methylphenyl)butan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methoxyethyl)-2-(2-methylphenyl)butan-1-amine is sourced from PubChem (CID 62596589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).