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

C17H29NO — CID 116726799

IUPAC1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine
SMILESCCNC(Cc1cc(C)cc(C)c1)C(C)(C)OCC
InChIInChI=1S/C17H29NO/c1-7-18-16(17(5,6)19-8-2)12-15-10-13(3)9-14(4)11-15/h9-11,16,18H,7-8,12H2,1-6H3
InChIKeyMWJCKBSSMOLTRO-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.64
Rot. Bonds7

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

1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine (PubChem CID 116726799) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine
PubChem CID116726799
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine
SMILESCCNC(Cc1cc(C)cc(C)c1)C(C)(C)OCC
InChIInChI=1S/C17H29NO/c1-7-18-16(17(5,6)19-8-2)12-15-10-13(3)9-14(4)11-15/h9-11,16,18H,7-8,12H2,1-6H3
InChIKeyMWJCKBSSMOLTRO-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,5-dimethylphenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
CID 105274027
3-ethoxy-N-ethyl-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 116726736
3-ethoxy-N-ethyl-1-(4-ethylphenyl)-3-methylbutan-2-amine
CID 116726891
1-(3,5-dimethylphenyl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine
CID 115800160
1-(3,5-dimethylphenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 79058869
1-(2,5-difluorophenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine
CID 116726754
3-ethoxy-N-ethyl-3-methyl-1-(4-methylphenyl)pentan-2-amine
CID 116759088
1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725779
3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-amine
CID 116726711
2-ethoxy-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-amine
CID 116726963
3-ethoxy-N-ethyl-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 116726981
1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723632

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine (CID 116726799) is 1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine is CCNC(Cc1cc(C)cc(C)c1)C(C)(C)OCC.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine?
The InChIKey is MWJCKBSSMOLTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-7-18-16(17(5,6)19-8-2)12-15-10-13(3)9-14(4)11-15/h9-11,16,18H,7-8,12H2,1-6H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine?
1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.64, 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-3-methylbutan-2-amine is sourced from PubChem (CID 116726799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).