4-(N-ethyl-4-methylanilino)-3,3-dimethylbutan-2-ol

C15H25NO — CID 66453264

IUPAC4-(N-ethyl-4-methylanilino)-3,3-dimethylbutan-2-ol
SMILESCCN(CC(C)(C)C(C)O)c1ccc(C)cc1
InChIInChI=1S/C15H25NO/c1-6-16(11-15(4,5)13(3)17)14-9-7-12(2)8-10-14/h7-10,13,17H,6,11H2,1-5H3
InChIKeyXMGJAUQWHQHMOI-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.23
Rot. Bonds5

About 4-(N-ethyl-4-methylanilino)-3,3-dimethylbutan-2-ol

4-(N-ethyl-4-methylanilino)-3,3-dimethylbutan-2-ol (PubChem CID 66453264) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-(N-ethyl-4-methylanilino)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name4-(N-ethyl-4-methylanilino)-3,3-dimethylbutan-2-ol
PubChem CID66453264
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-(N-ethyl-4-methylanilino)-3,3-dimethylbutan-2-ol
SMILESCCN(CC(C)(C)C(C)O)c1ccc(C)cc1
InChIInChI=1S/C15H25NO/c1-6-16(11-15(4,5)13(3)17)14-9-7-12(2)8-10-14/h7-10,13,17H,6,11H2,1-5H3
InChIKeyXMGJAUQWHQHMOI-UHFFFAOYSA-N
XLogP3.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-N-ethyl-2,2-dimethyl-1-N-(4-methylphenyl)butane-1,3-diamine
CID 66453210
N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 10262797
1-[N-ethyl-4-[(1R)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79387539
N-tert-butyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 62437274
1-[4-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
CID 55010438
2-[N-(2,2-dihydroxyethyl)-4-methylanilino]ethane-1,1-diol
CID 22255839
2-amino-2-cyclopropyl-3-(N-ethyl-4-methylanilino)propanamide
CID 63919444
3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol
CID 62613271
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
ethyl 4-(N-ethyl-4-methylanilino)-3-hydroxybutanoate
CID 82771038
2-[(N-ethyl-4-methylanilino)methyl]-3,3,3-trifluoropropanoic acid
CID 103773405
3-(N-ethyl-4-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64789337

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethyl-4-methylanilino)-3,3-dimethylbutan-2-ol?
The IUPAC name of 4-(N-ethyl-4-methylanilino)-3,3-dimethylbutan-2-ol (CID 66453264) is 4-(N-ethyl-4-methylanilino)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 4-(N-ethyl-4-methylanilino)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 4-(N-ethyl-4-methylanilino)-3,3-dimethylbutan-2-ol is CCN(CC(C)(C)C(C)O)c1ccc(C)cc1.
What is the InChIKey of 4-(N-ethyl-4-methylanilino)-3,3-dimethylbutan-2-ol?
The InChIKey is XMGJAUQWHQHMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-16(11-15(4,5)13(3)17)14-9-7-12(2)8-10-14/h7-10,13,17H,6,11H2,1-5H3.
What are the key properties of 4-(N-ethyl-4-methylanilino)-3,3-dimethylbutan-2-ol?
4-(N-ethyl-4-methylanilino)-3,3-dimethylbutan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethyl-4-methylanilino)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 66453264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).