2-(3,3-dimethylbutoxy)-N-ethyl-1-(4-methylphenyl)ethanamine

C17H29NO — CID 66233587

IUPAC2-(3,3-dimethylbutoxy)-N-ethyl-1-(4-methylphenyl)ethanamine
SMILESCCNC(COCCC(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C17H29NO/c1-6-18-16(13-19-12-11-17(3,4)5)15-9-7-14(2)8-10-15/h7-10,16,18H,6,11-13H2,1-5H3
InChIKeyBXPZULQLAGHTCX-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.10
Rot. Bonds7

About 2-(3,3-dimethylbutoxy)-N-ethyl-1-(4-methylphenyl)ethanamine

2-(3,3-dimethylbutoxy)-N-ethyl-1-(4-methylphenyl)ethanamine (PubChem CID 66233587) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)-N-ethyl-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxy)-N-ethyl-1-(4-methylphenyl)ethanamine
PubChem CID66233587
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-(3,3-dimethylbutoxy)-N-ethyl-1-(4-methylphenyl)ethanamine
SMILESCCNC(COCCC(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C17H29NO/c1-6-18-16(13-19-12-11-17(3,4)5)15-9-7-14(2)8-10-15/h7-10,16,18H,6,11-13H2,1-5H3
InChIKeyBXPZULQLAGHTCX-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.10
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-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylethanamine
CID 66234501
N-ethyl-1-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66277173
N-ethyl-3,5,5-trimethyl-1-(4-methylphenyl)hexan-1-amine
CID 43489288
N-ethyl-2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 63473833
N-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine
CID 63155925
2-(3,3-dimethylbutoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 66232695
4-[1-(ethylamino)-2-propoxyethyl]-N,N-dimethylaniline
CID 105165499
N-ethyl-1-(4-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002189
1-(3,3-dimethylbutoxy)-N-ethylbutan-2-amine
CID 66231555
1-(3,3-dimethylbutoxy)-N-ethyl-3,3-dimethylbutan-2-amine
CID 66234263
N-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine
CID 63475832
2-(2-cyclopropylethoxy)-N-ethyl-1-phenylethanamine
CID 106200509

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)-N-ethyl-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(3,3-dimethylbutoxy)-N-ethyl-1-(4-methylphenyl)ethanamine (CID 66233587) is 2-(3,3-dimethylbutoxy)-N-ethyl-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3,3-dimethylbutoxy)-N-ethyl-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(3,3-dimethylbutoxy)-N-ethyl-1-(4-methylphenyl)ethanamine is CCNC(COCCC(C)(C)C)c1ccc(C)cc1.
What is the InChIKey of 2-(3,3-dimethylbutoxy)-N-ethyl-1-(4-methylphenyl)ethanamine?
The InChIKey is BXPZULQLAGHTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-18-16(13-19-12-11-17(3,4)5)15-9-7-14(2)8-10-15/h7-10,16,18H,6,11-13H2,1-5H3.
What are the key properties of 2-(3,3-dimethylbutoxy)-N-ethyl-1-(4-methylphenyl)ethanamine?
2-(3,3-dimethylbutoxy)-N-ethyl-1-(4-methylphenyl)ethanamine has a molecular weight of 263.43 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutoxy)-N-ethyl-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 66233587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).