1-[2-(tert-butylamino)-1-phenylethoxy]-N,N,2-trimethylpropan-2-amine

C18H32N2O — CID 79670037

IUPAC1-[2-(tert-butylamino)-1-phenylethoxy]-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)COC(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H32N2O/c1-17(2,3)19-13-16(15-11-9-8-10-12-15)21-14-18(4,5)20(6)7/h8-12,16,19H,13-14H2,1-7H3
InChIKeyOCDCXZBNRQLPGC-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.47
Rot. Bonds7

About 1-[2-(tert-butylamino)-1-phenylethoxy]-N,N,2-trimethylpropan-2-amine

1-[2-(tert-butylamino)-1-phenylethoxy]-N,N,2-trimethylpropan-2-amine (PubChem CID 79670037) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)-1-phenylethoxy]-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(tert-butylamino)-1-phenylethoxy]-N,N,2-trimethylpropan-2-amine
PubChem CID79670037
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-[2-(tert-butylamino)-1-phenylethoxy]-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)COC(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H32N2O/c1-17(2,3)19-13-16(15-11-9-8-10-12-15)21-14-18(4,5)20(6)7/h8-12,16,19H,13-14H2,1-7H3
InChIKeyOCDCXZBNRQLPGC-UHFFFAOYSA-N
XLogP3.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-2-amine
CID 62108265
[2-(tert-butylamino)-1-phenylethyl] acetate
CID 174893597
N-[2-(3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine
CID 62110255
N-butyl-N'-tert-butyl-N-methyl-1-phenylethane-1,2-diamine
CID 62424767
N-methyl-2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine
CID 103725392
N-[2-(3-bromophenyl)-2-(4-methylpentoxy)ethyl]-2-methylpropan-2-amine
CID 63474821
2-methyl-N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 63473544
2-methyl-N-[2-[(6-methyl-3-pyridinyl)oxy]-2-phenylethyl]propan-2-amine
CID 62442215
N-tert-butyl-4,4-dimethyl-2-phenylpentan-1-amine
CID 81023928
N-[2-(3-bromophenyl)-2-(3,3,3-trifluoropropoxy)ethyl]-2-methylpropan-2-amine
CID 82962979
N-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine
CID 106457005
N-tert-butyl-6-methoxy-2-phenylhexan-1-amine
CID 81024230

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)-1-phenylethoxy]-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-[2-(tert-butylamino)-1-phenylethoxy]-N,N,2-trimethylpropan-2-amine (CID 79670037) is 1-[2-(tert-butylamino)-1-phenylethoxy]-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-[2-(tert-butylamino)-1-phenylethoxy]-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-[2-(tert-butylamino)-1-phenylethoxy]-N,N,2-trimethylpropan-2-amine is CN(C)C(C)(C)COC(CNC(C)(C)C)c1ccccc1.
What is the InChIKey of 1-[2-(tert-butylamino)-1-phenylethoxy]-N,N,2-trimethylpropan-2-amine?
The InChIKey is OCDCXZBNRQLPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-17(2,3)19-13-16(15-11-9-8-10-12-15)21-14-18(4,5)20(6)7/h8-12,16,19H,13-14H2,1-7H3.
What are the key properties of 1-[2-(tert-butylamino)-1-phenylethoxy]-N,N,2-trimethylpropan-2-amine?
1-[2-(tert-butylamino)-1-phenylethoxy]-N,N,2-trimethylpropan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)-1-phenylethoxy]-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 79670037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).