2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine

C16H27NO — CID 54853093

IUPAC2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine
SMILESCCC(C)(C)NCCOc1ccccc1C(C)C
InChIInChI=1S/C16H27NO/c1-6-16(4,5)17-11-12-18-15-10-8-7-9-14(15)13(2)3/h7-10,13,17H,6,11-12H2,1-5H3
InChIKeyRNDNFDOCFUQDEJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.97
Rot. Bonds7

About 2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine

2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine (PubChem CID 54853093) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine
PubChem CID54853093
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine
SMILESCCC(C)(C)NCCOc1ccccc1C(C)C
InChIInChI=1S/C16H27NO/c1-6-16(4,5)17-11-12-18-15-10-8-7-9-14(15)13(2)3/h7-10,13,17H,6,11-12H2,1-5H3
InChIKeyRNDNFDOCFUQDEJ-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-ethoxyphenoxy)ethyl]-2-methylbutan-2-amine
CID 55088165
2-methyl-N-[2-(2-methylsulfanylphenoxy)ethyl]butan-2-amine
CID 63649567
N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54796175
2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54798096
N,2-dimethyl-4-(2-propan-2-ylphenoxy)butan-2-amine
CID 94686635
3-(2-propan-2-ylphenoxy)propylhydrazine
CID 94681406
1-octoxy-2-propan-2-ylbenzene
CID 64765685
N-ethyl-5-(2-propan-2-ylphenoxy)pentan-1-amine
CID 55077101
N-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine
CID 2247450
N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylphenoxy)ethanamine
CID 39431642
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-2-amine
CID 55070885
N-[2-(2-ethoxyphenoxy)propyl]-2-methylbutan-2-amine
CID 62572112

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine?
The IUPAC name of 2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine (CID 54853093) is 2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine is CCC(C)(C)NCCOc1ccccc1C(C)C.
What is the InChIKey of 2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine?
The InChIKey is RNDNFDOCFUQDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-16(4,5)17-11-12-18-15-10-8-7-9-14(15)13(2)3/h7-10,13,17H,6,11-12H2,1-5H3.
What are the key properties of 2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine?
2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine is sourced from PubChem (CID 54853093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).