N,2-dimethyl-4-(2-propan-2-ylphenoxy)butan-2-amine

C15H25NO — CID 94686635

IUPACN,2-dimethyl-4-(2-propan-2-ylphenoxy)butan-2-amine
SMILESCNC(C)(C)CCOc1ccccc1C(C)C
InChIInChI=1S/C15H25NO/c1-12(2)13-8-6-7-9-14(13)17-11-10-15(3,4)16-5/h6-9,12,16H,10-11H2,1-5H3
InChIKeyREBIOTUFVKIKRX-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.58
Rot. Bonds6

About N,2-dimethyl-4-(2-propan-2-ylphenoxy)butan-2-amine

N,2-dimethyl-4-(2-propan-2-ylphenoxy)butan-2-amine (PubChem CID 94686635) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N,2-dimethyl-4-(2-propan-2-ylphenoxy)butan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-4-(2-propan-2-ylphenoxy)butan-2-amine
PubChem CID94686635
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN,2-dimethyl-4-(2-propan-2-ylphenoxy)butan-2-amine
SMILESCNC(C)(C)CCOc1ccccc1C(C)C
InChIInChI=1S/C15H25NO/c1-12(2)13-8-6-7-9-14(13)17-11-10-15(3,4)16-5/h6-9,12,16H,10-11H2,1-5H3
InChIKeyREBIOTUFVKIKRX-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-4-(2-methylphenoxy)butan-2-amine
CID 94681294
2-methyl-2-(methylamino)-5-(2-propan-2-ylphenoxy)pentan-1-ol
CID 64804791
2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 54853093
N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54796175
1-[2-(3,3-dimethylbutoxy)phenyl]ethanamine
CID 61481627
3-(2-propan-2-ylphenoxy)propylhydrazine
CID 94681406
1-octoxy-2-propan-2-ylbenzene
CID 64765685
4-[2-[(1R)-1-hydroxyethyl]phenoxy]-2-methylbutan-2-ol
CID 79355173
2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54798096
2-(methylamino)-3-(2-propan-2-ylphenoxy)propan-1-ol
CID 64804789
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
1-(3-bromo-2,2-dimethylpropoxy)-2-propan-2-ylbenzene
CID 64995447

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-(2-propan-2-ylphenoxy)butan-2-amine?
The IUPAC name of N,2-dimethyl-4-(2-propan-2-ylphenoxy)butan-2-amine (CID 94686635) is N,2-dimethyl-4-(2-propan-2-ylphenoxy)butan-2-amine.
What is the SMILES notation for N,2-dimethyl-4-(2-propan-2-ylphenoxy)butan-2-amine?
The canonical SMILES for N,2-dimethyl-4-(2-propan-2-ylphenoxy)butan-2-amine is CNC(C)(C)CCOc1ccccc1C(C)C.
What is the InChIKey of N,2-dimethyl-4-(2-propan-2-ylphenoxy)butan-2-amine?
The InChIKey is REBIOTUFVKIKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)13-8-6-7-9-14(13)17-11-10-15(3,4)16-5/h6-9,12,16H,10-11H2,1-5H3.
What are the key properties of N,2-dimethyl-4-(2-propan-2-ylphenoxy)butan-2-amine?
N,2-dimethyl-4-(2-propan-2-ylphenoxy)butan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-(2-propan-2-ylphenoxy)butan-2-amine is sourced from PubChem (CID 94686635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).