N,N-dibenzyl-2-[(2-methylpropan-2-yl)oxy]ethanamine;methane

C21H31NO — CID 157145048

IUPACN,N-dibenzyl-2-[(2-methylpropan-2-yl)oxy]ethanamine;methane
SMILESC.CC(C)(C)OCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H27NO.CH4/c1-20(2,3)22-15-14-21(16-18-10-6-4-7-11-18)17-19-12-8-5-9-13-19;/h4-13H,14-17H2,1-3H3;1H4
InChIKeyAKPLOZBFQFAJIM-UHFFFAOYSA-N
MW313.49 g/mol
LogP5.14
Rot. Bonds7

About N,N-dibenzyl-2-[(2-methylpropan-2-yl)oxy]ethanamine;methane

N,N-dibenzyl-2-[(2-methylpropan-2-yl)oxy]ethanamine;methane (PubChem CID 157145048) has the molecular formula C21H31NO and a molecular weight of 313.49 g/mol. Its IUPAC name is N,N-dibenzyl-2-[(2-methylpropan-2-yl)oxy]ethanamine;methane.

Molecular Properties

Compound NameN,N-dibenzyl-2-[(2-methylpropan-2-yl)oxy]ethanamine;methane
PubChem CID157145048
Molecular FormulaC21H31NO
Molecular Weight313.49 g/mol
Exact Mass313.24
IUPAC NameN,N-dibenzyl-2-[(2-methylpropan-2-yl)oxy]ethanamine;methane
SMILESC.CC(C)(C)OCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H27NO.CH4/c1-20(2,3)22-15-14-21(16-18-10-6-4-7-11-18)17-19-12-8-5-9-13-19;/h4-13H,14-17H2,1-3H3;1H4
InChIKeyAKPLOZBFQFAJIM-UHFFFAOYSA-N
XLogP5.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.49
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibenzyl-2-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethanamine
CID 139455024
N,N-dibenzylpropan-1-amine
CID 10840212
2-(dibenzylamino)ethyl formate
CID 24829039
N'-benzyl-N'-[2-(trifluoromethoxy)ethyl]propane-1,3-diamine
CID 107367846
4-[(2-methylpropan-2-yl)oxy]butylbenzene
CID 14937175
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
tert-butyl 3-[2-[2-[benzyl-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoate
CID 171748821
1-N,1-N-dibenzyl-4,4-dimethylpentane-1,3-diamine
CID 82171517
N,N-dibenzyl-3-propan-2-yloxypropan-1-amine
CID 112820656
N,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine
CID 174802109
N-benzyl-2-methoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]ethanamine
CID 86616987
N-benzyl-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine
CID 47013131

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-[(2-methylpropan-2-yl)oxy]ethanamine;methane?
The IUPAC name of N,N-dibenzyl-2-[(2-methylpropan-2-yl)oxy]ethanamine;methane (CID 157145048) is N,N-dibenzyl-2-[(2-methylpropan-2-yl)oxy]ethanamine;methane.
What is the SMILES notation for N,N-dibenzyl-2-[(2-methylpropan-2-yl)oxy]ethanamine;methane?
The canonical SMILES for N,N-dibenzyl-2-[(2-methylpropan-2-yl)oxy]ethanamine;methane is C.CC(C)(C)OCCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-[(2-methylpropan-2-yl)oxy]ethanamine;methane?
The InChIKey is AKPLOZBFQFAJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO.CH4/c1-20(2,3)22-15-14-21(16-18-10-6-4-7-11-18)17-19-12-8-5-9-13-19;/h4-13H,14-17H2,1-3H3;1H4.
What are the key properties of N,N-dibenzyl-2-[(2-methylpropan-2-yl)oxy]ethanamine;methane?
N,N-dibenzyl-2-[(2-methylpropan-2-yl)oxy]ethanamine;methane has a molecular weight of 313.49 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-[(2-methylpropan-2-yl)oxy]ethanamine;methane is sourced from PubChem (CID 157145048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).