4-amino-1-(N,2,4,5-tetramethylanilino)butan-2-ol

C14H24N2O — CID 117039116

IUPAC4-amino-1-(N,2,4,5-tetramethylanilino)butan-2-ol
SMILESCc1cc(C)c(N(C)CC(O)CCN)cc1C
InChIInChI=1S/C14H24N2O/c1-10-7-12(3)14(8-11(10)2)16(4)9-13(17)5-6-15/h7-8,13,17H,5-6,9,15H2,1-4H3
InChIKeyUQKRKYOTKJCHSJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.76
Rot. Bonds5

About 4-amino-1-(N,2,4,5-tetramethylanilino)butan-2-ol

4-amino-1-(N,2,4,5-tetramethylanilino)butan-2-ol (PubChem CID 117039116) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-amino-1-(N,2,4,5-tetramethylanilino)butan-2-ol.

Molecular Properties

Compound Name4-amino-1-(N,2,4,5-tetramethylanilino)butan-2-ol
PubChem CID117039116
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-amino-1-(N,2,4,5-tetramethylanilino)butan-2-ol
SMILESCc1cc(C)c(N(C)CC(O)CCN)cc1C
InChIInChI=1S/C14H24N2O/c1-10-7-12(3)14(8-11(10)2)16(4)9-13(17)5-6-15/h7-8,13,17H,5-6,9,15H2,1-4H3
InChIKeyUQKRKYOTKJCHSJ-UHFFFAOYSA-N
XLogP1.76
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(2-chloro-4-methoxy-N-methylanilino)butan-2-ol
CID 117039121
4-amino-1-(3,4-dimethoxy-N-methylanilino)butan-2-ol
CID 117039074
1-(N,2,4-trimethylanilino)pentan-2-ol
CID 62041498
3-(4,5-dimethoxy-N,2-dimethylanilino)propane-1,2-diol
CID 115122024
4-amino-1-(3,4-difluoro-N-methylanilino)butan-2-ol
CID 117039096
1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol
CID 114281243
3-(2-methoxy-N,4,5-trimethylanilino)propane-1,2-diol
CID 115121985
4-amino-1-(dimethylamino)butan-2-ol;hydrochloride
CID 83967321
4-amino-1-[methyl-(1-methylindol-3-yl)amino]butan-2-ol
CID 117039109
4-amino-1-[(5-chlorothiophen-2-yl)-methylamino]butan-2-ol
CID 117039086
4-amino-1-[(5-bromothiophen-2-yl)-methylamino]butan-2-ol
CID 117039087
4-amino-1-(N-methyl-4-propylanilino)butan-2-ol
CID 117039080

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(N,2,4,5-tetramethylanilino)butan-2-ol?
The IUPAC name of 4-amino-1-(N,2,4,5-tetramethylanilino)butan-2-ol (CID 117039116) is 4-amino-1-(N,2,4,5-tetramethylanilino)butan-2-ol.
What is the SMILES notation for 4-amino-1-(N,2,4,5-tetramethylanilino)butan-2-ol?
The canonical SMILES for 4-amino-1-(N,2,4,5-tetramethylanilino)butan-2-ol is Cc1cc(C)c(N(C)CC(O)CCN)cc1C.
What is the InChIKey of 4-amino-1-(N,2,4,5-tetramethylanilino)butan-2-ol?
The InChIKey is UQKRKYOTKJCHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10-7-12(3)14(8-11(10)2)16(4)9-13(17)5-6-15/h7-8,13,17H,5-6,9,15H2,1-4H3.
What are the key properties of 4-amino-1-(N,2,4,5-tetramethylanilino)butan-2-ol?
4-amino-1-(N,2,4,5-tetramethylanilino)butan-2-ol has a molecular weight of 236.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(N,2,4,5-tetramethylanilino)butan-2-ol is sourced from PubChem (CID 117039116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).