2-amino-4-(4-octylphenyl)butan-1-ol;hydrochloride

C18H32ClNO — CID 10064205

IUPAC2-amino-4-(4-octylphenyl)butan-1-ol;hydrochloride
SMILESCCCCCCCCc1ccc(CCC(N)CO)cc1.Cl
InChIInChI=1S/C18H31NO.ClH/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(19)15-20;/h9-12,18,20H,2-8,13-15,19H2,1H3;1H
InChIKeyHGZRXPTWWBQXPA-UHFFFAOYSA-N
MW313.91 g/mol
LogP4.26
Rot. Bonds11

About 2-amino-4-(4-octylphenyl)butan-1-ol;hydrochloride

2-amino-4-(4-octylphenyl)butan-1-ol;hydrochloride (PubChem CID 10064205) has the molecular formula C18H32ClNO and a molecular weight of 313.91 g/mol. Its IUPAC name is 2-amino-4-(4-octylphenyl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-4-(4-octylphenyl)butan-1-ol;hydrochloride
PubChem CID10064205
Molecular FormulaC18H32ClNO
Molecular Weight313.91 g/mol
Exact Mass313.22
IUPAC Name2-amino-4-(4-octylphenyl)butan-1-ol;hydrochloride
SMILESCCCCCCCCc1ccc(CCC(N)CO)cc1.Cl
InChIInChI=1S/C18H31NO.ClH/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(19)15-20;/h9-12,18,20H,2-8,13-15,19H2,1H3;1H
InChIKeyHGZRXPTWWBQXPA-UHFFFAOYSA-N
XLogP4.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.91
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-amino-2-(4-octylphenyl)ethanol
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[3-amino-5-(4-octylphenyl)pentanoyl]-trihydroxyphosphanium
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2-aminononadecan-1-ol
CID 87201322
(2S)-2-aminoundecan-1-ol
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methyl 2-amino-4-(4-octylphenyl)butanoate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-octylphenyl)butan-1-ol;hydrochloride?
The IUPAC name of 2-amino-4-(4-octylphenyl)butan-1-ol;hydrochloride (CID 10064205) is 2-amino-4-(4-octylphenyl)butan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-4-(4-octylphenyl)butan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-4-(4-octylphenyl)butan-1-ol;hydrochloride is CCCCCCCCc1ccc(CCC(N)CO)cc1.Cl.
What is the InChIKey of 2-amino-4-(4-octylphenyl)butan-1-ol;hydrochloride?
The InChIKey is HGZRXPTWWBQXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO.ClH/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(19)15-20;/h9-12,18,20H,2-8,13-15,19H2,1H3;1H.
What are the key properties of 2-amino-4-(4-octylphenyl)butan-1-ol;hydrochloride?
2-amino-4-(4-octylphenyl)butan-1-ol;hydrochloride has a molecular weight of 313.91 g/mol, XLogP of 4.26, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-octylphenyl)butan-1-ol;hydrochloride is sourced from PubChem (CID 10064205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).