2-amino-1-phenyloctan-1-ol;hydrochloride

C14H24ClNO — CID 138400765

IUPAC2-amino-1-phenyloctan-1-ol;hydrochloride
SMILESCCCCCCC(N)C(O)c1ccccc1.Cl
InChIInChI=1S/C14H23NO.ClH/c1-2-3-4-8-11-13(15)14(16)12-9-6-5-7-10-12;/h5-7,9-10,13-14,16H,2-4,8,11,15H2,1H3;1H
InChIKeyKJFVZLGKFHOAKS-UHFFFAOYSA-N
MW257.81 g/mol
LogP3.44
Rot. Bonds7

About 2-amino-1-phenyloctan-1-ol;hydrochloride

2-amino-1-phenyloctan-1-ol;hydrochloride (PubChem CID 138400765) has the molecular formula C14H24ClNO and a molecular weight of 257.81 g/mol. Its IUPAC name is 2-amino-1-phenyloctan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-1-phenyloctan-1-ol;hydrochloride
PubChem CID138400765
Molecular FormulaC14H24ClNO
Molecular Weight257.81 g/mol
Exact Mass257.15
IUPAC Name2-amino-1-phenyloctan-1-ol;hydrochloride
SMILESCCCCCCC(N)C(O)c1ccccc1.Cl
InChIInChI=1S/C14H23NO.ClH/c1-2-3-4-8-11-13(15)14(16)12-9-6-5-7-10-12;/h5-7,9-10,13-14,16H,2-4,8,11,15H2,1H3;1H
InChIKeyKJFVZLGKFHOAKS-UHFFFAOYSA-N
XLogP3.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 53.44
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

1,1-diphenylnonan-2-amine;hydrate
CID 173441575
1,1-diphenylnonadecan-2-amine;hydrate
CID 173441506
(1R)-1-phenyloctan-1-ol
CID 12794259
1,1-diphenylheptan-2-amine;hydrate
CID 173442268
1-phenyldecan-1-amine
CID 43175860
1-phenylhexan-1-amine;hydrochloride
CID 3033249
ethyl 2-[hydroxy(phenyl)methyl]octanoate
CID 101333316
(1S,2S)-2-amino-1-phenylbutan-1-ol
CID 36689126
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
2,4-diamino-1-phenylbutan-1-ol
CID 83936523
(1R,2R)-2-ethenyl-1-phenyloctan-1-ol
CID 13312187
(1S,2R)-2-ethenyl-1-phenylheptadecan-1-ol
CID 135804741

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-phenyloctan-1-ol;hydrochloride?
The IUPAC name of 2-amino-1-phenyloctan-1-ol;hydrochloride (CID 138400765) is 2-amino-1-phenyloctan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-1-phenyloctan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-1-phenyloctan-1-ol;hydrochloride is CCCCCCC(N)C(O)c1ccccc1.Cl.
What is the InChIKey of 2-amino-1-phenyloctan-1-ol;hydrochloride?
The InChIKey is KJFVZLGKFHOAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO.ClH/c1-2-3-4-8-11-13(15)14(16)12-9-6-5-7-10-12;/h5-7,9-10,13-14,16H,2-4,8,11,15H2,1H3;1H.
What are the key properties of 2-amino-1-phenyloctan-1-ol;hydrochloride?
2-amino-1-phenyloctan-1-ol;hydrochloride has a molecular weight of 257.81 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-phenyloctan-1-ol;hydrochloride is sourced from PubChem (CID 138400765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).