2-amino-2-(4-decylphenyl)propane-1,3-diol;hydrochloride

C19H34ClNO2 — CID 45261273

IUPAC2-amino-2-(4-decylphenyl)propane-1,3-diol;hydrochloride
SMILESCCCCCCCCCCc1ccc(C(N)(CO)CO)cc1.Cl
InChIInChI=1S/C19H33NO2.ClH/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)19(20,15-21)16-22;/h11-14,21-22H,2-10,15-16,20H2,1H3;1H
InChIKeyJSHQGDPXTLKFTR-UHFFFAOYSA-N
MW343.94 g/mol
LogP3.93
Rot. Bonds12

About 2-amino-2-(4-decylphenyl)propane-1,3-diol;hydrochloride

2-amino-2-(4-decylphenyl)propane-1,3-diol;hydrochloride (PubChem CID 45261273) has the molecular formula C19H34ClNO2 and a molecular weight of 343.94 g/mol. Its IUPAC name is 2-amino-2-(4-decylphenyl)propane-1,3-diol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-decylphenyl)propane-1,3-diol;hydrochloride
PubChem CID45261273
Molecular FormulaC19H34ClNO2
Molecular Weight343.94 g/mol
Exact Mass343.23
IUPAC Name2-amino-2-(4-decylphenyl)propane-1,3-diol;hydrochloride
SMILESCCCCCCCCCCc1ccc(C(N)(CO)CO)cc1.Cl
InChIInChI=1S/C19H33NO2.ClH/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)19(20,15-21)16-22;/h11-14,21-22H,2-10,15-16,20H2,1H3;1H
InChIKeyJSHQGDPXTLKFTR-UHFFFAOYSA-N
XLogP3.93
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.94
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-decylphenyl)propane-1,3-diol;hydrochloride?
The IUPAC name of 2-amino-2-(4-decylphenyl)propane-1,3-diol;hydrochloride (CID 45261273) is 2-amino-2-(4-decylphenyl)propane-1,3-diol;hydrochloride.
What is the SMILES notation for 2-amino-2-(4-decylphenyl)propane-1,3-diol;hydrochloride?
The canonical SMILES for 2-amino-2-(4-decylphenyl)propane-1,3-diol;hydrochloride is CCCCCCCCCCc1ccc(C(N)(CO)CO)cc1.Cl.
What is the InChIKey of 2-amino-2-(4-decylphenyl)propane-1,3-diol;hydrochloride?
The InChIKey is JSHQGDPXTLKFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2.ClH/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)19(20,15-21)16-22;/h11-14,21-22H,2-10,15-16,20H2,1H3;1H.
What are the key properties of 2-amino-2-(4-decylphenyl)propane-1,3-diol;hydrochloride?
2-amino-2-(4-decylphenyl)propane-1,3-diol;hydrochloride has a molecular weight of 343.94 g/mol, XLogP of 3.93, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-decylphenyl)propane-1,3-diol;hydrochloride is sourced from PubChem (CID 45261273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).