4-[4-[benzyl(methyl)amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-ol

C18H31NO2 — CID 171081655

IUPAC4-[4-[benzyl(methyl)amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-ol
SMILESCN(CCC(C)(C)OCCC(C)(C)O)Cc1ccccc1
InChIInChI=1S/C18H31NO2/c1-17(2,20)12-14-21-18(3,4)11-13-19(5)15-16-9-7-6-8-10-16/h6-10,20H,11-15H2,1-5H3
InChIKeyWAMXLSRUCMIXKO-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.46
Rot. Bonds9

About 4-[4-[benzyl(methyl)amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-ol

4-[4-[benzyl(methyl)amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-ol (PubChem CID 171081655) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-[4-[benzyl(methyl)amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[4-[benzyl(methyl)amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-ol
PubChem CID171081655
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name4-[4-[benzyl(methyl)amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-ol
SMILESCN(CCC(C)(C)OCCC(C)(C)O)Cc1ccccc1
InChIInChI=1S/C18H31NO2/c1-17(2,20)12-14-21-18(3,4)11-13-19(5)15-16-9-7-6-8-10-16/h6-10,20H,11-15H2,1-5H3
InChIKeyWAMXLSRUCMIXKO-UHFFFAOYSA-N
XLogP3.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[methyl(2-phenylethyl)amino]butan-2-ol
CID 79359532
3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1,1-diphenylpropan-1-ol
CID 70515525
N,N-dibenzyl-2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethanamine
CID 139455024
2-methyl-4-[methyl(naphthalen-1-ylmethyl)amino]butan-2-ol
CID 75423705
2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol
CID 79360655
(2R)-4-[benzyl(methyl)amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-ol
CID 58837038
3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol
CID 13422168
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
bis[3-[benzyl(methyl)amino]propyl] carbonate
CID 18944362
(2R)-4-[benzyl(methyl)amino]-2-methyl-2-phenylbutanenitrile
CID 125465888
N-benzyl-3-bromo-N-methylpropan-1-amine
CID 61288943
3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-chlorophenyl)-1-phenylpropan-1-ol
CID 70515941

Frequently Asked Questions

What is the IUPAC name of 4-[4-[benzyl(methyl)amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-ol?
The IUPAC name of 4-[4-[benzyl(methyl)amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-ol (CID 171081655) is 4-[4-[benzyl(methyl)amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-ol.
What is the SMILES notation for 4-[4-[benzyl(methyl)amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-ol?
The canonical SMILES for 4-[4-[benzyl(methyl)amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-ol is CN(CCC(C)(C)OCCC(C)(C)O)Cc1ccccc1.
What is the InChIKey of 4-[4-[benzyl(methyl)amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-ol?
The InChIKey is WAMXLSRUCMIXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-17(2,20)12-14-21-18(3,4)11-13-19(5)15-16-9-7-6-8-10-16/h6-10,20H,11-15H2,1-5H3.
What are the key properties of 4-[4-[benzyl(methyl)amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-ol?
4-[4-[benzyl(methyl)amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-ol has a molecular weight of 293.45 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[benzyl(methyl)amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-ol is sourced from PubChem (CID 171081655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).