1-(2,6-dimethylphenyl)-3-ethoxy-4,4-dimethylpentan-2-amine

C17H29NO — CID 116725277

IUPAC1-(2,6-dimethylphenyl)-3-ethoxy-4,4-dimethylpentan-2-amine
SMILESCCOC(C(N)Cc1c(C)cccc1C)C(C)(C)C
InChIInChI=1S/C17H29NO/c1-7-19-16(17(4,5)6)15(18)11-14-12(2)9-8-10-13(14)3/h8-10,15-16H,7,11,18H2,1-6H3
InChIKeyXHHHJZGNOVUPHC-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.62
Rot. Bonds5

About 1-(2,6-dimethylphenyl)-3-ethoxy-4,4-dimethylpentan-2-amine

1-(2,6-dimethylphenyl)-3-ethoxy-4,4-dimethylpentan-2-amine (PubChem CID 116725277) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-ethoxy-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-ethoxy-4,4-dimethylpentan-2-amine
PubChem CID116725277
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-(2,6-dimethylphenyl)-3-ethoxy-4,4-dimethylpentan-2-amine
SMILESCCOC(C(N)Cc1c(C)cccc1C)C(C)(C)C
InChIInChI=1S/C17H29NO/c1-7-19-16(17(4,5)6)15(18)11-14-12(2)9-8-10-13(14)3/h8-10,15-16H,7,11,18H2,1-6H3
InChIKeyXHHHJZGNOVUPHC-UHFFFAOYSA-N
XLogP3.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine
CID 116725191
3-ethoxy-1-(3-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 116725273
1-(2,6-dimethylphenyl)-3-ethoxy-4-methylpentan-2-ol
CID 116712154
1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine
CID 116772041
(3S)-4-ethoxy-5,5-dimethylhexan-3-amine
CID 104932287
(2R)-3-(2,6-dimethylphenyl)-2-ethoxypropanoic acid
CID 100528176
[2-ethoxy-3,3-dimethyl-1-(2-methylphenyl)butyl]hydrazine
CID 105273631
tert-butyl 2-amino-3-(2,6-dimethylphenyl)propanoate
CID 83225158
1-(2,5-dimethylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
CID 116725300
(2R)-1-(2,6-dimethylphenyl)propan-2-amine;hydrochloride
CID 175702028
2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116725223
3-ethoxy-2,2,7-trimethyloctan-4-amine
CID 116725152

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-ethoxy-4,4-dimethylpentan-2-amine?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-ethoxy-4,4-dimethylpentan-2-amine (CID 116725277) is 1-(2,6-dimethylphenyl)-3-ethoxy-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-ethoxy-4,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-ethoxy-4,4-dimethylpentan-2-amine is CCOC(C(N)Cc1c(C)cccc1C)C(C)(C)C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-ethoxy-4,4-dimethylpentan-2-amine?
The InChIKey is XHHHJZGNOVUPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-19-16(17(4,5)6)15(18)11-14-12(2)9-8-10-13(14)3/h8-10,15-16H,7,11,18H2,1-6H3.
What are the key properties of 1-(2,6-dimethylphenyl)-3-ethoxy-4,4-dimethylpentan-2-amine?
1-(2,6-dimethylphenyl)-3-ethoxy-4,4-dimethylpentan-2-amine has a molecular weight of 263.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-ethoxy-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 116725277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).