2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylethanamine

C17H29NO — CID 66234501

IUPAC2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylethanamine
SMILESCCc1ccc(C(COCCC(C)(C)C)NC)cc1
InChIInChI=1S/C17H29NO/c1-6-14-7-9-15(10-8-14)16(18-5)13-19-12-11-17(2,3)4/h7-10,16,18H,6,11-13H2,1-5H3
InChIKeyNMMBAGXVGKWVEU-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.96
Rot. Bonds7

About 2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylethanamine

2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylethanamine (PubChem CID 66234501) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylethanamine
PubChem CID66234501
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylethanamine
SMILESCCc1ccc(C(COCCC(C)(C)C)NC)cc1
InChIInChI=1S/C17H29NO/c1-6-14-7-9-15(10-8-14)16(18-5)13-19-12-11-17(2,3)4/h7-10,16,18H,6,11-13H2,1-5H3
InChIKeyNMMBAGXVGKWVEU-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
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

1-(4-ethylphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82788200
2-(3,3-dimethylbutoxy)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 66232695
2-(3,3-dimethylbutoxy)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 66233587
2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 66234272
1-(4-ethylphenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950168
1-(4-tert-butylphenyl)-2-hexoxy-N-methylethanamine
CID 63475997
2-chloro-1-(4-ethylphenyl)-N-methylethanamine
CID 116952559
2-(3,3-dimethylbutoxy)-N-methyl-1-naphthalen-1-ylethanamine
CID 66232471
2-cyclobutyloxy-1-(4-ethylphenyl)-N-methylethanamine
CID 62139676
2-tert-butylsulfonyl-1-(4-ethylphenyl)-N-methylethanamine
CID 64646373
N-[2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)ethyl]propan-1-amine
CID 106200712
2-(2-cyclobutylethoxy)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 106200984

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylethanamine (CID 66234501) is 2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylethanamine is CCc1ccc(C(COCCC(C)(C)C)NC)cc1.
What is the InChIKey of 2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylethanamine?
The InChIKey is NMMBAGXVGKWVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-14-7-9-15(10-8-14)16(18-5)13-19-12-11-17(2,3)4/h7-10,16,18H,6,11-13H2,1-5H3.
What are the key properties of 2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylethanamine?
2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylethanamine has a molecular weight of 263.43 g/mol, XLogP of 3.96, 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)-1-(4-ethylphenyl)-N-methylethanamine is sourced from PubChem (CID 66234501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).