1-[2-[(1R)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol

C14H23NO2 — CID 104930417

IUPAC1-[2-[(1R)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol
SMILESCC[C@@H](N)c1ccccc1OCC(C)(O)CC
InChIInChI=1S/C14H23NO2/c1-4-12(15)11-8-6-7-9-13(11)17-10-14(3,16)5-2/h6-9,12,16H,4-5,10,15H2,1-3H3/t12-,14?/m1/s1
InChIKeyNDRLBVNQXACECV-PUODRLBUSA-N
MW237.34 g/mol
LogP2.64
Rot. Bonds6

About 1-[2-[(1R)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol

1-[2-[(1R)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol (PubChem CID 104930417) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[2-[(1R)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[2-[(1R)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol
PubChem CID104930417
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[2-[(1R)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol
SMILESCC[C@@H](N)c1ccccc1OCC(C)(O)CC
InChIInChI=1S/C14H23NO2/c1-4-12(15)11-8-6-7-9-13(11)17-10-14(3,16)5-2/h6-9,12,16H,4-5,10,15H2,1-3H3/t12-,14?/m1/s1
InChIKeyNDRLBVNQXACECV-PUODRLBUSA-N
XLogP2.64
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(1R)-1-aminopropyl]phenoxy]-2-methylbutan-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

(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide
CID 30076593
(1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 63366086
(1S)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 78933036
(1R)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 103939558
ethyl 2-[2-(1-aminopropyl)phenoxy]acetate
CID 60877898
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462
1-[4-[(1S)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol
CID 104930453
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
1-[2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 114494372
5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol
CID 78933156
(1S)-1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-1-amine
CID 78932925

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol?
The IUPAC name of 1-[2-[(1R)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol (CID 104930417) is 1-[2-[(1R)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[2-[(1R)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 1-[2-[(1R)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol is CC[C@@H](N)c1ccccc1OCC(C)(O)CC.
What is the InChIKey of 1-[2-[(1R)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol?
The InChIKey is NDRLBVNQXACECV-PUODRLBUSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-12(15)11-8-6-7-9-13(11)17-10-14(3,16)5-2/h6-9,12,16H,4-5,10,15H2,1-3H3/t12-,14?/m1/s1.
What are the key properties of 1-[2-[(1R)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol?
1-[2-[(1R)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 104930417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).