(2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride

C20H36ClNO — CID 66563411

IUPAC(2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride
SMILESCCCCCCCCCCCc1ccc(C[C@H](N)CO)cc1.Cl
InChIInChI=1S/C20H35NO.ClH/c1-2-3-4-5-6-7-8-9-10-11-18-12-14-19(15-13-18)16-20(21)17-22;/h12-15,20,22H,2-11,16-17,21H2,1H3;1H/t20-;/m0./s1
InChIKeyMSRXNCIEZHRLQV-BDQAORGHSA-N
MW341.97 g/mol
LogP5.04
Rot. Bonds13

About (2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride

(2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride (PubChem CID 66563411) has the molecular formula C20H36ClNO and a molecular weight of 341.97 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride
PubChem CID66563411
Molecular FormulaC20H36ClNO
Molecular Weight341.97 g/mol
Exact Mass341.25
IUPAC Name(2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride
SMILESCCCCCCCCCCCc1ccc(C[C@H](N)CO)cc1.Cl
InChIInChI=1S/C20H35NO.ClH/c1-2-3-4-5-6-7-8-9-10-11-18-12-14-19(15-13-18)16-20(21)17-22;/h12-15,20,22H,2-11,16-17,21H2,1H3;1H/t20-;/m0./s1
InChIKeyMSRXNCIEZHRLQV-BDQAORGHSA-N
XLogP5.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.97
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride 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

(2S)-2-amino-3-(4-hexylphenyl)propan-1-ol
CID 66563404
2-amino-4-(4-octylphenyl)butan-1-ol;hydrochloride
CID 10064205
(2S,3R)-2-amino-4-(4-octylphenyl)butane-1,3-diol
CID 11645021
2-amino-3-(4-hexoxyphenyl)propan-1-ol;hydrochloride
CID 170892011
2-amino-2-(4-octylphenyl)ethanol
CID 19881300
2-amino-5-(4-hexoxyphenyl)pentan-1-ol;hydrochloride
CID 22618781
(4-dodecylphenyl)methyl-tris(hydroxymethyl)phosphanium chloride
CID 70517027
2-amino-3-(4-heptylphenyl)propanoic acid
CID 170879327
1-(4-propylphenyl)hexan-2-amine
CID 82255234
1-(4-butylphenyl)-3-fluoropropan-2-amine
CID 143418394
2-amino-1-(4-octylphenyl)propane-1,3-diol
CID 135162597
2-amino-3-(6-octylnaphthalen-1-yl)propan-1-ol
CID 70863301

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride (CID 66563411) is (2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride is CCCCCCCCCCCc1ccc(C[C@H](N)CO)cc1.Cl.
What is the InChIKey of (2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride?
The InChIKey is MSRXNCIEZHRLQV-BDQAORGHSA-N. The full InChI is InChI=1S/C20H35NO.ClH/c1-2-3-4-5-6-7-8-9-10-11-18-12-14-19(15-13-18)16-20(21)17-22;/h12-15,20,22H,2-11,16-17,21H2,1H3;1H/t20-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride?
(2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride has a molecular weight of 341.97 g/mol, XLogP of 5.04, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 66563411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).