1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol

C14H21NO2 — CID 111488962

IUPAC1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
SMILESCN(CC(O)COc1ccccc1)C1CCC1
InChIInChI=1S/C14H21NO2/c1-15(12-6-5-7-12)10-13(16)11-17-14-8-3-2-4-9-14/h2-4,8-9,12-13,16H,5-7,10-11H2,1H3
InChIKeySDVAHTLQYIKKOP-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.91
Rot. Bonds6

About 1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol

1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol (PubChem CID 111488962) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
PubChem CID111488962
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
SMILESCN(CC(O)COc1ccccc1)C1CCC1
InChIInChI=1S/C14H21NO2/c1-15(12-6-5-7-12)10-13(16)11-17-14-8-3-2-4-9-14/h2-4,8-9,12-13,16H,5-7,10-11H2,1H3
InChIKeySDVAHTLQYIKKOP-UHFFFAOYSA-N
XLogP1.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[cyclobutyl(methyl)amino]-3-phenoxypropan-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

1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol
CID 111106340
1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 111488940
(2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 8741472
1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 2919622
1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-phenoxypropan-2-ol
CID 111490306
1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 3416827
3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 43288694
4-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 43213548
4-[(2S)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 32730119
1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol
CID 43253511
1-[cyclohexyl(methyl)amino]-3-(2-fluorophenoxy)propan-2-ol chloride
CID 53350472
1-[4-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]propan-1-one
CID 1265839

Frequently Asked Questions

What is the IUPAC name of 1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol (CID 111488962) is 1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol is CN(CC(O)COc1ccccc1)C1CCC1.
What is the InChIKey of 1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol?
The InChIKey is SDVAHTLQYIKKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-15(12-6-5-7-12)10-13(16)11-17-14-8-3-2-4-9-14/h2-4,8-9,12-13,16H,5-7,10-11H2,1H3.
What are the key properties of 1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol?
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 111488962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).