2-(2,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine

C14H23NO — CID 62352480

IUPAC2-(2,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine
SMILESCCC(C)(CNC)Oc1cc(C)ccc1C
InChIInChI=1S/C14H23NO/c1-6-14(4,10-15-5)16-13-9-11(2)7-8-12(13)3/h7-9,15H,6,10H2,1-5H3
InChIKeyWIQGTBKHDWHNLX-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.07
Rot. Bonds5

About 2-(2,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine

2-(2,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine (PubChem CID 62352480) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine
PubChem CID62352480
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(2,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine
SMILESCCC(C)(CNC)Oc1cc(C)ccc1C
InChIInChI=1S/C14H23NO/c1-6-14(4,10-15-5)16-13-9-11(2)7-8-12(13)3/h7-9,15H,6,10H2,1-5H3
InChIKeyWIQGTBKHDWHNLX-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-2-(2,3,5-trimethylphenoxy)butan-1-amine
CID 62353838
N,2-dimethyl-2-[4-(4-methylphenyl)phenoxy]butan-1-amine
CID 63489021
2-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 64854500
2-(4-fluorophenoxy)-N,2-dimethylbutan-1-amine
CID 62353436
2-(2,5-dimethylphenyl)-1-(methylamino)butan-2-ol
CID 82040151
2-(5-fluoro-2-methylphenoxy)-2-methylbutan-1-amine
CID 102986123
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535
2-(2,5-dimethylphenoxy)-1-ethoxy-2-methylpropan-1-ol
CID 146594134
3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79627041
2-(2-tert-butyl-4-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 55063375
N,2-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 62353843
2-(3-chloro-4-fluorophenoxy)-N,2-dimethylbutan-1-amine
CID 63878844

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine (CID 62352480) is 2-(2,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine is CCC(C)(CNC)Oc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine?
The InChIKey is WIQGTBKHDWHNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-6-14(4,10-15-5)16-13-9-11(2)7-8-12(13)3/h7-9,15H,6,10H2,1-5H3.
What are the key properties of 2-(2,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine?
2-(2,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 62352480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).