1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol

C14H21NO3 — CID 62414951

IUPAC1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OCC(O)CNC1CCC1
InChIInChI=1S/C14H21NO3/c1-17-13-7-2-3-8-14(13)18-10-12(16)9-15-11-5-4-6-11/h2-3,7-8,11-12,15-16H,4-6,9-10H2,1H3
InChIKeyXVCUSWKUFUUVDV-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.58
Rot. Bonds7

About 1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol

1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol (PubChem CID 62414951) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
PubChem CID62414951
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OCC(O)CNC1CCC1
InChIInChI=1S/C14H21NO3/c1-17-13-7-2-3-8-14(13)18-10-12(16)9-15-11-5-4-6-11/h2-3,7-8,11-12,15-16H,4-6,9-10H2,1H3
InChIKeyXVCUSWKUFUUVDV-UHFFFAOYSA-N
XLogP1.58
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-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
Oxprenolol
CID 4631
Viloxazine
CID 5666
Viloxazine Hydrochloride
CID 71424
Toliprolol
CID 18047
Oxprenolol Hydrochloride
CID 71172
Alprenolol, (S)-
CID 204665
Bufetolol
CID 2465
Prenalterol
CID 42396
1-((1-Methylethyl)amino)-3-(2-propylphenoxy)-2-propanol
CID 43216
(+-)-Moprolol
CID 71213

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol (CID 62414951) is 1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol is COc1ccccc1OCC(O)CNC1CCC1.
What is the InChIKey of 1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol?
The InChIKey is XVCUSWKUFUUVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-13-7-2-3-8-14(13)18-10-12(16)9-15-11-5-4-6-11/h2-3,7-8,11-12,15-16H,4-6,9-10H2,1H3.
What are the key properties of 1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol?
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol has a molecular weight of 251.33 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 62414951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).