2-[(3,5-dimethylanilino)methyl]-2-ethylbutan-1-ol

C15H25NO — CID 81411803

IUPAC2-[(3,5-dimethylanilino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1cc(C)cc(C)c1
InChIInChI=1S/C15H25NO/c1-5-15(6-2,11-17)10-16-14-8-12(3)7-13(4)9-14/h7-9,16-17H,5-6,10-11H2,1-4H3
InChIKeyQDISWMWBCFNXTF-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.51
Rot. Bonds6

About 2-[(3,5-dimethylanilino)methyl]-2-ethylbutan-1-ol

2-[(3,5-dimethylanilino)methyl]-2-ethylbutan-1-ol (PubChem CID 81411803) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[(3,5-dimethylanilino)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(3,5-dimethylanilino)methyl]-2-ethylbutan-1-ol
PubChem CID81411803
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-[(3,5-dimethylanilino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1cc(C)cc(C)c1
InChIInChI=1S/C15H25NO/c1-5-15(6-2,11-17)10-16-14-8-12(3)7-13(4)9-14/h7-9,16-17H,5-6,10-11H2,1-4H3
InChIKeyQDISWMWBCFNXTF-UHFFFAOYSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromoanilino)methyl]-2-ethylbutan-1-ol
CID 81411598
2-ethyl-2-[(pyrimidin-5-ylamino)methyl]butan-1-ol
CID 107588244
2-[(4-chloroanilino)methyl]-2-ethylbutan-1-ol
CID 81410986
2-ethyl-2-[(3-ethylanilino)methyl]butan-1-ol
CID 81411805
2-[(3-amino-5-nitroanilino)methyl]-2-ethylbutan-1-ol
CID 106258424
5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,2-dimethylbenzenesulfonamide
CID 81401246
3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzamide
CID 81411204
1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]propan-1-one
CID 106257829
2-ethyl-2-[(4-nitroanilino)methyl]butan-1-ol
CID 81413516
2-ethyl-2-[(pyrimidin-2-ylamino)methyl]butan-1-ol
CID 75431914
2-ethyl-2-[(quinolin-6-ylamino)methyl]butan-1-ol
CID 81418945
2-[(2-bromo-5-chloroanilino)methyl]-2-ethylbutan-1-ol
CID 81418881

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylanilino)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(3,5-dimethylanilino)methyl]-2-ethylbutan-1-ol (CID 81411803) is 2-[(3,5-dimethylanilino)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(3,5-dimethylanilino)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(3,5-dimethylanilino)methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNc1cc(C)cc(C)c1.
What is the InChIKey of 2-[(3,5-dimethylanilino)methyl]-2-ethylbutan-1-ol?
The InChIKey is QDISWMWBCFNXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-15(6-2,11-17)10-16-14-8-12(3)7-13(4)9-14/h7-9,16-17H,5-6,10-11H2,1-4H3.
What are the key properties of 2-[(3,5-dimethylanilino)methyl]-2-ethylbutan-1-ol?
2-[(3,5-dimethylanilino)methyl]-2-ethylbutan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylanilino)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 81411803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).