3-amino-2-(2-butan-2-ylphenoxy)-4-methylpentan-1-ol

C16H27NO2 — CID 114357978

IUPAC3-amino-2-(2-butan-2-ylphenoxy)-4-methylpentan-1-ol
SMILESCCC(C)c1ccccc1OC(CO)C(N)C(C)C
InChIInChI=1S/C16H27NO2/c1-5-12(4)13-8-6-7-9-14(13)19-15(10-18)16(17)11(2)3/h6-9,11-12,15-16,18H,5,10,17H2,1-4H3
InChIKeyVLCCZVGPWWETRB-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.92
Rot. Bonds7

About 3-amino-2-(2-butan-2-ylphenoxy)-4-methylpentan-1-ol

3-amino-2-(2-butan-2-ylphenoxy)-4-methylpentan-1-ol (PubChem CID 114357978) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-amino-2-(2-butan-2-ylphenoxy)-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-butan-2-ylphenoxy)-4-methylpentan-1-ol
PubChem CID114357978
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-amino-2-(2-butan-2-ylphenoxy)-4-methylpentan-1-ol
SMILESCCC(C)c1ccccc1OC(CO)C(N)C(C)C
InChIInChI=1S/C16H27NO2/c1-5-12(4)13-8-6-7-9-14(13)19-15(10-18)16(17)11(2)3/h6-9,11-12,15-16,18H,5,10,17H2,1-4H3
InChIKeyVLCCZVGPWWETRB-UHFFFAOYSA-N
XLogP2.92
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-(2-butan-2-ylphenoxy)-4-methylpentan-1-ol 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

Alprenolol
CID 2119
Metoprolol
CID 4171
Betaxolol
CID 2369
Mexiletine
CID 4178
Penbutolol
CID 37464
Betaxolol Hydrochloride
CID 107952
Mexiletine Hydrochloride
CID 21467
Toliprolol
CID 18047
Levobetaxolol
CID 60657
Alprenolol Hydrochloride
CID 66368
Berlafenone
CID 65691
Alprenolol, (S)-
CID 204665

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-butan-2-ylphenoxy)-4-methylpentan-1-ol?
The IUPAC name of 3-amino-2-(2-butan-2-ylphenoxy)-4-methylpentan-1-ol (CID 114357978) is 3-amino-2-(2-butan-2-ylphenoxy)-4-methylpentan-1-ol.
What is the SMILES notation for 3-amino-2-(2-butan-2-ylphenoxy)-4-methylpentan-1-ol?
The canonical SMILES for 3-amino-2-(2-butan-2-ylphenoxy)-4-methylpentan-1-ol is CCC(C)c1ccccc1OC(CO)C(N)C(C)C.
What is the InChIKey of 3-amino-2-(2-butan-2-ylphenoxy)-4-methylpentan-1-ol?
The InChIKey is VLCCZVGPWWETRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-12(4)13-8-6-7-9-14(13)19-15(10-18)16(17)11(2)3/h6-9,11-12,15-16,18H,5,10,17H2,1-4H3.
What are the key properties of 3-amino-2-(2-butan-2-ylphenoxy)-4-methylpentan-1-ol?
3-amino-2-(2-butan-2-ylphenoxy)-4-methylpentan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-butan-2-ylphenoxy)-4-methylpentan-1-ol is sourced from PubChem (CID 114357978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).