2-[(2-methoxy-N,3,4,6-tetramethylanilino)methyl]butan-1-ol

C16H27NO2 — CID 115250728

IUPAC2-[(2-methoxy-N,3,4,6-tetramethylanilino)methyl]butan-1-ol
SMILESCCC(CO)CN(C)c1c(C)cc(C)c(C)c1OC
InChIInChI=1S/C16H27NO2/c1-7-14(10-18)9-17(5)15-12(3)8-11(2)13(4)16(15)19-6/h8,14,18H,7,9-10H2,1-6H3
InChIKeyMIJHIUSVAKIIFR-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.08
Rot. Bonds6

About 2-[(2-methoxy-N,3,4,6-tetramethylanilino)methyl]butan-1-ol

2-[(2-methoxy-N,3,4,6-tetramethylanilino)methyl]butan-1-ol (PubChem CID 115250728) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[(2-methoxy-N,3,4,6-tetramethylanilino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[(2-methoxy-N,3,4,6-tetramethylanilino)methyl]butan-1-ol
PubChem CID115250728
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[(2-methoxy-N,3,4,6-tetramethylanilino)methyl]butan-1-ol
SMILESCCC(CO)CN(C)c1c(C)cc(C)c(C)c1OC
InChIInChI=1S/C16H27NO2/c1-7-14(10-18)9-17(5)15-12(3)8-11(2)13(4)16(15)19-6/h8,14,18H,7,9-10H2,1-6H3
InChIKeyMIJHIUSVAKIIFR-UHFFFAOYSA-N
XLogP3.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methoxy-N,3,4,6-tetramethylaniline
CID 115259374
2-(2-methoxy-N,3,4,6-tetramethylanilino)ethanol
CID 115216183
2-[(2-methoxy-N,5-dimethylanilino)methyl]butan-1-ol
CID 115250618
methyl 2-(2-methoxy-N,3,4,6-tetramethylanilino)acetate
CID 115232845
N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline
CID 115260711
2-ethyl-N'-(4-methoxy-2,3,5-trimethylphenyl)-N'-methylpropane-1,3-diamine
CID 115251353
2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol
CID 115120488
2-amino-3-(dimethylamino)-3-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116911647
2-[[methyl-(6-methyl-1,3-benzodioxol-5-yl)amino]methyl]butan-1-ol
CID 115250718
[(2-methoxy-3,4,6-trimethylphenyl)methyl-methylamino]methanol
CID 115229239
2-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butan-1-ol
CID 116930780
2-[(N,2,3,5,6-pentamethylanilino)methyl]butanoic acid
CID 115249810

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-N,3,4,6-tetramethylanilino)methyl]butan-1-ol?
The IUPAC name of 2-[(2-methoxy-N,3,4,6-tetramethylanilino)methyl]butan-1-ol (CID 115250728) is 2-[(2-methoxy-N,3,4,6-tetramethylanilino)methyl]butan-1-ol.
What is the SMILES notation for 2-[(2-methoxy-N,3,4,6-tetramethylanilino)methyl]butan-1-ol?
The canonical SMILES for 2-[(2-methoxy-N,3,4,6-tetramethylanilino)methyl]butan-1-ol is CCC(CO)CN(C)c1c(C)cc(C)c(C)c1OC.
What is the InChIKey of 2-[(2-methoxy-N,3,4,6-tetramethylanilino)methyl]butan-1-ol?
The InChIKey is MIJHIUSVAKIIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-7-14(10-18)9-17(5)15-12(3)8-11(2)13(4)16(15)19-6/h8,14,18H,7,9-10H2,1-6H3.
What are the key properties of 2-[(2-methoxy-N,3,4,6-tetramethylanilino)methyl]butan-1-ol?
2-[(2-methoxy-N,3,4,6-tetramethylanilino)methyl]butan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-N,3,4,6-tetramethylanilino)methyl]butan-1-ol is sourced from PubChem (CID 115250728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).