[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-tetradecylazanium chloride

C23H42ClNO2 — CID 24936125

IUPAC[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-tetradecylazanium chloride
SMILESCCCCCCCCCCCCCC[NH2+][C@H](CO)[C@H](O)c1ccccc1.[Cl-]
InChIInChI=1S/C23H41NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-24-22(20-25)23(26)21-17-14-13-15-18-21;/h13-15,17-18,22-26H,2-12,16,19-20H2,1H3;1H/t22-,23-;/m1./s1
InChIKeyJTMGWCFEQZDMCX-OHIDFYLOSA-N
MW400.05 g/mol
LogP1.35
Rot. Bonds17

About [(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-tetradecylazanium chloride

[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-tetradecylazanium chloride (PubChem CID 24936125) has the molecular formula C23H42ClNO2 and a molecular weight of 400.05 g/mol. Its IUPAC name is [(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-tetradecylazanium chloride.

Molecular Properties

Compound Name[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-tetradecylazanium chloride
PubChem CID24936125
Molecular FormulaC23H42ClNO2
Molecular Weight400.05 g/mol
Exact Mass399.29
IUPAC Name[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-tetradecylazanium chloride
SMILESCCCCCCCCCCCCCC[NH2+][C@H](CO)[C@H](O)c1ccccc1.[Cl-]
InChIInChI=1S/C23H41NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-24-22(20-25)23(26)21-17-14-13-15-18-21;/h13-15,17-18,22-26H,2-12,16,19-20H2,1H3;1H/t22-,23-;/m1./s1
InChIKeyJTMGWCFEQZDMCX-OHIDFYLOSA-N
XLogP1.35
TPSA57.07 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.05
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-tetradecylazanium chloride 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

benzhydryl(octadecyl)azanium chloride
CID 88728255
benzhydryl(octyl)azanium chloride
CID 88728655
3,3-diphenylpropyl(hexyl)azanium hydroxide
CID 70585030
(1R)-1-phenyloctan-1-ol
CID 12794259
2,2-diphenylethyl(pentyl)azanium chloride
CID 70520335
2-amino-1-phenyloctan-1-ol;hydrochloride
CID 138400765
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyloctanamide
CID 54856883
(1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 14112556
(1S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 70156546
(1S,2S)-1-hydroxy-2-methyl-1-phenylnonan-3-one
CID 102384202
dodecyl-(2-hydroxy-1,2-diphenylethyl)-dimethylazanium bromide
CID 139950584
(1R,2R)-2-ethenyl-1-phenyloctan-1-ol
CID 13312187

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-tetradecylazanium chloride?
The IUPAC name of [(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-tetradecylazanium chloride (CID 24936125) is [(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-tetradecylazanium chloride.
What is the SMILES notation for [(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-tetradecylazanium chloride?
The canonical SMILES for [(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-tetradecylazanium chloride is CCCCCCCCCCCCCC[NH2+][C@H](CO)[C@H](O)c1ccccc1.[Cl-].
What is the InChIKey of [(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-tetradecylazanium chloride?
The InChIKey is JTMGWCFEQZDMCX-OHIDFYLOSA-N. The full InChI is InChI=1S/C23H41NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-24-22(20-25)23(26)21-17-14-13-15-18-21;/h13-15,17-18,22-26H,2-12,16,19-20H2,1H3;1H/t22-,23-;/m1./s1.
What are the key properties of [(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-tetradecylazanium chloride?
[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-tetradecylazanium chloride has a molecular weight of 400.05 g/mol, XLogP of 1.35, 17 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-tetradecylazanium chloride is sourced from PubChem (CID 24936125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).