2-methyl-2-(4-phenoxyphenoxy)butan-1-amine

C17H21NO2 — CID 62354841

IUPAC2-methyl-2-(4-phenoxyphenoxy)butan-1-amine
SMILESCCC(C)(CN)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-3-17(2,13-18)20-16-11-9-15(10-12-16)19-14-7-5-4-6-8-14/h4-12H,3,13,18H2,1-2H3
InChIKeyVXEPKKQARJBIJE-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.99
Rot. Bonds6

About 2-methyl-2-(4-phenoxyphenoxy)butan-1-amine

2-methyl-2-(4-phenoxyphenoxy)butan-1-amine (PubChem CID 62354841) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methyl-2-(4-phenoxyphenoxy)butan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(4-phenoxyphenoxy)butan-1-amine
PubChem CID62354841
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-methyl-2-(4-phenoxyphenoxy)butan-1-amine
SMILESCCC(C)(CN)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-3-17(2,13-18)20-16-11-9-15(10-12-16)19-14-7-5-4-6-8-14/h4-12H,3,13,18H2,1-2H3
InChIKeyVXEPKKQARJBIJE-UHFFFAOYSA-N
XLogP3.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylbutan-2-yl)-4-phenoxybenzene
CID 67473143
2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-amine
CID 95464223
2-methyl-2-(3-methylsulfonylphenoxy)butan-1-amine
CID 62355049
2-methyl-2-(2-propan-2-ylphenoxy)butan-1-amine
CID 62355244
2-methyl-2-phenoxy-N-propylbutan-1-amine
CID 62353829
ethane;phenoxybenzene;propane
CID 90923491
4-[4-[[4-(3-methylpentan-3-yloxy)phenyl]methyl]phenoxy]benzenethiol
CID 70802036
4-[4-[2-[4-(3-methylpentan-3-yloxy)phenyl]propan-2-yl]phenoxy]benzenethiol
CID 71047983
N-(2,2-dimethylbutyl)-4-phenoxyaniline
CID 168720380
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
2-phenoxybutan-2-ylphosphane
CID 89070581
phenoxybenzene;propane-2,2-diol
CID 174556232

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-phenoxyphenoxy)butan-1-amine?
The IUPAC name of 2-methyl-2-(4-phenoxyphenoxy)butan-1-amine (CID 62354841) is 2-methyl-2-(4-phenoxyphenoxy)butan-1-amine.
What is the SMILES notation for 2-methyl-2-(4-phenoxyphenoxy)butan-1-amine?
The canonical SMILES for 2-methyl-2-(4-phenoxyphenoxy)butan-1-amine is CCC(C)(CN)Oc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-methyl-2-(4-phenoxyphenoxy)butan-1-amine?
The InChIKey is VXEPKKQARJBIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-17(2,13-18)20-16-11-9-15(10-12-16)19-14-7-5-4-6-8-14/h4-12H,3,13,18H2,1-2H3.
What are the key properties of 2-methyl-2-(4-phenoxyphenoxy)butan-1-amine?
2-methyl-2-(4-phenoxyphenoxy)butan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-phenoxyphenoxy)butan-1-amine is sourced from PubChem (CID 62354841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).