2-ethyl-2-[(3-ethylanilino)methyl]butan-1-ol

C15H25NO — CID 81411805

IUPAC2-ethyl-2-[(3-ethylanilino)methyl]butan-1-ol
SMILESCCc1cccc(NCC(CC)(CC)CO)c1
InChIInChI=1S/C15H25NO/c1-4-13-8-7-9-14(10-13)16-11-15(5-2,6-3)12-17/h7-10,16-17H,4-6,11-12H2,1-3H3
InChIKeyZTHVCUUWKJSZIK-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.46
Rot. Bonds7

About 2-ethyl-2-[(3-ethylanilino)methyl]butan-1-ol

2-ethyl-2-[(3-ethylanilino)methyl]butan-1-ol (PubChem CID 81411805) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-ethyl-2-[(3-ethylanilino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(3-ethylanilino)methyl]butan-1-ol
PubChem CID81411805
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-ethyl-2-[(3-ethylanilino)methyl]butan-1-ol
SMILESCCc1cccc(NCC(CC)(CC)CO)c1
InChIInChI=1S/C15H25NO/c1-4-13-8-7-9-14(10-13)16-11-15(5-2,6-3)12-17/h7-10,16-17H,4-6,11-12H2,1-3H3
InChIKeyZTHVCUUWKJSZIK-UHFFFAOYSA-N
XLogP3.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzamide
CID 81411204
2-ethyl-2-[(3-pyrazol-1-ylanilino)methyl]butan-1-ol
CID 81412463
[3-(2,2-dimethylpropylamino)phenyl]methanol
CID 20785829
4-(3-ethylanilino)-2-methylbutan-2-ol
CID 79360431
CID 58064173
CID 58064173
N'-(3-ethylphenyl)methanediamine
CID 89312870
2-[(4-chloroanilino)methyl]-2-ethylbutan-1-ol
CID 81410986
2-[(4-bromoanilino)methyl]-2-ethylbutan-1-ol
CID 81411598
2-ethyl-2-[(quinolin-6-ylamino)methyl]butan-1-ol
CID 81418945
1-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]imidazolidin-2-one
CID 81401096
methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate
CID 103844394
N'-(3-ethylphenyl)-N-(3-hydroxy-2,2-dimethylpropyl)butanediamide
CID 50971913

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3-ethylanilino)methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(3-ethylanilino)methyl]butan-1-ol (CID 81411805) is 2-ethyl-2-[(3-ethylanilino)methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(3-ethylanilino)methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(3-ethylanilino)methyl]butan-1-ol is CCc1cccc(NCC(CC)(CC)CO)c1.
What is the InChIKey of 2-ethyl-2-[(3-ethylanilino)methyl]butan-1-ol?
The InChIKey is ZTHVCUUWKJSZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-13-8-7-9-14(10-13)16-11-15(5-2,6-3)12-17/h7-10,16-17H,4-6,11-12H2,1-3H3.
What are the key properties of 2-ethyl-2-[(3-ethylanilino)methyl]butan-1-ol?
2-ethyl-2-[(3-ethylanilino)methyl]butan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(3-ethylanilino)methyl]butan-1-ol is sourced from PubChem (CID 81411805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).