2-methyl-2-(2-propan-2-ylphenoxy)butan-1-amine

C14H23NO — CID 62355244

IUPAC2-methyl-2-(2-propan-2-ylphenoxy)butan-1-amine
SMILESCCC(C)(CN)Oc1ccccc1C(C)C
InChIInChI=1S/C14H23NO/c1-5-14(4,10-15)16-13-9-7-6-8-12(13)11(2)3/h6-9,11H,5,10,15H2,1-4H3
InChIKeyADIJPKYJRKOVDX-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.32
Rot. Bonds5

About 2-methyl-2-(2-propan-2-ylphenoxy)butan-1-amine

2-methyl-2-(2-propan-2-ylphenoxy)butan-1-amine (PubChem CID 62355244) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-methyl-2-(2-propan-2-ylphenoxy)butan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(2-propan-2-ylphenoxy)butan-1-amine
PubChem CID62355244
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-methyl-2-(2-propan-2-ylphenoxy)butan-1-amine
SMILESCCC(C)(CN)Oc1ccccc1C(C)C
InChIInChI=1S/C14H23NO/c1-5-14(4,10-15)16-13-9-7-6-8-12(13)11(2)3/h6-9,11H,5,10,15H2,1-4H3
InChIKeyADIJPKYJRKOVDX-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-(2-propan-2-ylphenoxy)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-methyl-2-(2-propan-2-ylphenoxy)butan-1-amine
CID 62355451
2-(2-chlorophenoxy)-2-methylbutan-1-amine
CID 62355038
2-methyl-2-[2-(trifluoromethyl)phenoxy]butan-1-amine
CID 62354628
ethyl 2,2-difluoro-2-(2-propan-2-ylphenoxy)acetate
CID 66452195
2-methyl-2-(4-phenoxyphenoxy)butan-1-amine
CID 62354841
2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 54853093
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 64814427
2-(aminomethyl)-1-(2-methoxyphenyl)-2-methylbutan-1-ol
CID 79135152
(2R)-1-(2-propan-2-ylphenoxy)propan-2-amine
CID 30814005
(2S)-2-(2-propan-2-ylphenyl)butan-2-ol
CID 97294103

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-propan-2-ylphenoxy)butan-1-amine?
The IUPAC name of 2-methyl-2-(2-propan-2-ylphenoxy)butan-1-amine (CID 62355244) is 2-methyl-2-(2-propan-2-ylphenoxy)butan-1-amine.
What is the SMILES notation for 2-methyl-2-(2-propan-2-ylphenoxy)butan-1-amine?
The canonical SMILES for 2-methyl-2-(2-propan-2-ylphenoxy)butan-1-amine is CCC(C)(CN)Oc1ccccc1C(C)C.
What is the InChIKey of 2-methyl-2-(2-propan-2-ylphenoxy)butan-1-amine?
The InChIKey is ADIJPKYJRKOVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-14(4,10-15)16-13-9-7-6-8-12(13)11(2)3/h6-9,11H,5,10,15H2,1-4H3.
What are the key properties of 2-methyl-2-(2-propan-2-ylphenoxy)butan-1-amine?
2-methyl-2-(2-propan-2-ylphenoxy)butan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-propan-2-ylphenoxy)butan-1-amine is sourced from PubChem (CID 62355244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).