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

C15H26ClNO2 — CID 170892011

IUPAC2-amino-3-(4-hexoxyphenyl)propan-1-ol;hydrochloride
SMILESCCCCCCOc1ccc(CC(N)CO)cc1.Cl
InChIInChI=1S/C15H25NO2.ClH/c1-2-3-4-5-10-18-15-8-6-13(7-9-15)11-14(16)12-17;/h6-9,14,17H,2-5,10-12,16H2,1H3;1H
InChIKeyHBEIVBPUWHEPPO-UHFFFAOYSA-N
MW287.83 g/mol
LogP2.93
Rot. Bonds9

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

2-amino-3-(4-hexoxyphenyl)propan-1-ol;hydrochloride (PubChem CID 170892011) has the molecular formula C15H26ClNO2 and a molecular weight of 287.83 g/mol. Its IUPAC name is 2-amino-3-(4-hexoxyphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(4-hexoxyphenyl)propan-1-ol;hydrochloride
PubChem CID170892011
Molecular FormulaC15H26ClNO2
Molecular Weight287.83 g/mol
Exact Mass287.17
IUPAC Name2-amino-3-(4-hexoxyphenyl)propan-1-ol;hydrochloride
SMILESCCCCCCOc1ccc(CC(N)CO)cc1.Cl
InChIInChI=1S/C15H25NO2.ClH/c1-2-3-4-5-10-18-15-8-6-13(7-9-15)11-14(16)12-17;/h6-9,14,17H,2-5,10-12,16H2,1H3;1H
InChIKeyHBEIVBPUWHEPPO-UHFFFAOYSA-N
XLogP2.93
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-2-amino-3-(4-hexylphenyl)propan-1-ol
CID 66563404
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1,4-di(pentacontoxy)benzene
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(4-decoxyphenyl)methanamine
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(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
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2-[4-[1-amino-3-(4-heptoxyphenyl)propan-2-yl]phenyl]-3-(4-heptoxyphenyl)propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hexoxyphenyl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-(4-hexoxyphenyl)propan-1-ol;hydrochloride (CID 170892011) is 2-amino-3-(4-hexoxyphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-(4-hexoxyphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-(4-hexoxyphenyl)propan-1-ol;hydrochloride is CCCCCCOc1ccc(CC(N)CO)cc1.Cl.
What is the InChIKey of 2-amino-3-(4-hexoxyphenyl)propan-1-ol;hydrochloride?
The InChIKey is HBEIVBPUWHEPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2.ClH/c1-2-3-4-5-10-18-15-8-6-13(7-9-15)11-14(16)12-17;/h6-9,14,17H,2-5,10-12,16H2,1H3;1H.
What are the key properties of 2-amino-3-(4-hexoxyphenyl)propan-1-ol;hydrochloride?
2-amino-3-(4-hexoxyphenyl)propan-1-ol;hydrochloride has a molecular weight of 287.83 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hexoxyphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170892011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).