1-[4-[(1S)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol

C14H23NO2 — CID 104930453

IUPAC1-[4-[(1S)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol
SMILESCC[C@H](N)c1ccc(OCC(C)(O)CC)cc1
InChIInChI=1S/C14H23NO2/c1-4-13(15)11-6-8-12(9-7-11)17-10-14(3,16)5-2/h6-9,13,16H,4-5,10,15H2,1-3H3/t13-,14?/m0/s1
InChIKeyPREQYEKLMUBNRG-LSLKUGRBSA-N
MW237.34 g/mol
LogP2.64
Rot. Bonds6

About 1-[4-[(1S)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol

1-[4-[(1S)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol (PubChem CID 104930453) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[4-[(1S)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[4-[(1S)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol
PubChem CID104930453
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[4-[(1S)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol
SMILESCC[C@H](N)c1ccc(OCC(C)(O)CC)cc1
InChIInChI=1S/C14H23NO2/c1-4-13(15)11-6-8-12(9-7-11)17-10-14(3,16)5-2/h6-9,13,16H,4-5,10,15H2,1-3H3/t13-,14?/m0/s1
InChIKeyPREQYEKLMUBNRG-LSLKUGRBSA-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-[4-[(1S)-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

1-[4-(1-hydroxypropyl)phenoxy]-2-methylbutan-2-ol
CID 114494418
(1R)-1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]propan-1-amine
CID 29004969
(1R)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 103939568
(1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 113355509
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-[4-[(1R)-1-aminopropyl]phenoxy]butan-2-ol
CID 78937019
1-[4-[(1S)-1-aminopropyl]phenoxy]propan-2-ol
CID 63367838
1-[4-(1-aminopropyl)phenoxy]propan-2-ol
CID 60880327
2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide
CID 30072384
3-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pentan-3-ol
CID 104930422
1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-1-amine
CID 61492150
1-[4-(1-hydroxypropyl)phenoxy]-2-methylpropan-2-ol
CID 60883807

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol?
The IUPAC name of 1-[4-[(1S)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol (CID 104930453) is 1-[4-[(1S)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[4-[(1S)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 1-[4-[(1S)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol is CC[C@H](N)c1ccc(OCC(C)(O)CC)cc1.
What is the InChIKey of 1-[4-[(1S)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol?
The InChIKey is PREQYEKLMUBNRG-LSLKUGRBSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-13(15)11-6-8-12(9-7-11)17-10-14(3,16)5-2/h6-9,13,16H,4-5,10,15H2,1-3H3/t13-,14?/m0/s1.
What are the key properties of 1-[4-[(1S)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol?
1-[4-[(1S)-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-[4-[(1S)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 104930453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).