1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine

C19H33NO — CID 116725779

IUPAC1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
SMILESCCNC(Cc1cc(C)cc(C)c1)C(OCC)C(C)(C)C
InChIInChI=1S/C19H33NO/c1-8-20-17(18(21-9-2)19(5,6)7)13-16-11-14(3)10-15(4)12-16/h10-12,17-18,20H,8-9,13H2,1-7H3
InChIKeyMCVOCAUCFLYWDV-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.28
Rot. Bonds7

About 1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine

1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine (PubChem CID 116725779) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
PubChem CID116725779
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
SMILESCCNC(Cc1cc(C)cc(C)c1)C(OCC)C(C)(C)C
InChIInChI=1S/C19H33NO/c1-8-20-17(18(21-9-2)19(5,6)7)13-16-11-14(3)10-15(4)12-16/h10-12,17-18,20H,8-9,13H2,1-7H3
InChIKeyMCVOCAUCFLYWDV-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723632
4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine
CID 116725718
1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine
CID 116726799
1-(5-bromo-2-fluorophenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725728
4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine
CID 116725722
3-ethoxy-N-ethyl-2,2,6-trimethylheptan-4-amine
CID 116725715
1-(3,5-dimethylphenyl)-3-ethoxy-N-propylbutan-2-amine
CID 64535226
3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-amine
CID 116725841
1-cyclopropyl-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725824
3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine
CID 116725712
5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine
CID 116725749
4-ethoxy-N-ethyl-5,5-dimethyl-1-(1-methylimidazol-2-yl)hexan-3-amine
CID 114530763

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine (CID 116725779) is 1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine is CCNC(Cc1cc(C)cc(C)c1)C(OCC)C(C)(C)C.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine?
The InChIKey is MCVOCAUCFLYWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-8-20-17(18(21-9-2)19(5,6)7)13-16-11-14(3)10-15(4)12-16/h10-12,17-18,20H,8-9,13H2,1-7H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine?
1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 116725779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).