(2S)-2-amino-3-(4-hexylphenyl)propan-1-ol

C15H25NO — CID 66563404

IUPAC(2S)-2-amino-3-(4-hexylphenyl)propan-1-ol
SMILESCCCCCCc1ccc(C[C@H](N)CO)cc1
InChIInChI=1S/C15H25NO/c1-2-3-4-5-6-13-7-9-14(10-8-13)11-15(16)12-17/h7-10,15,17H,2-6,11-12,16H2,1H3/t15-/m0/s1
InChIKeyZJEBSJSDIJDKIZ-HNNXBMFYSA-N
MW235.37 g/mol
LogP2.67
Rot. Bonds8

About (2S)-2-amino-3-(4-hexylphenyl)propan-1-ol

(2S)-2-amino-3-(4-hexylphenyl)propan-1-ol (PubChem CID 66563404) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hexylphenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hexylphenyl)propan-1-ol
PubChem CID66563404
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(2S)-2-amino-3-(4-hexylphenyl)propan-1-ol
SMILESCCCCCCc1ccc(C[C@H](N)CO)cc1
InChIInChI=1S/C15H25NO/c1-2-3-4-5-6-13-7-9-14(10-8-13)11-15(16)12-17/h7-10,15,17H,2-6,11-12,16H2,1H3/t15-/m0/s1
InChIKeyZJEBSJSDIJDKIZ-HNNXBMFYSA-N
XLogP2.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.67
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

(2S)-2-amino-3-(4-undecylphenyl)propan-1-ol;hydrochloride
CID 66563411
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-2-(4-octylphenyl)ethanol
CID 19881300
2-amino-3-(4-hexoxyphenyl)propan-1-ol;hydrochloride
CID 170892011
(4-dodecylphenyl)methyl-tris(hydroxymethyl)phosphanium chloride
CID 70517027
2-amino-3-(4-heptylphenyl)propanoic acid
CID 170879327
1-(4-butylphenyl)-3-fluoropropan-2-amine
CID 143418394
1-(4-propylphenyl)hexan-2-amine
CID 82255234
2-amino-1-(4-octylphenyl)propane-1,3-diol
CID 135162597
2-amino-3-(6-octylnaphthalen-1-yl)propan-1-ol
CID 70863301
2-(4-heptylphenyl)propane-1,3-diol
CID 14527851

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hexylphenyl)propan-1-ol?
The IUPAC name of (2S)-2-amino-3-(4-hexylphenyl)propan-1-ol (CID 66563404) is (2S)-2-amino-3-(4-hexylphenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-(4-hexylphenyl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-3-(4-hexylphenyl)propan-1-ol is CCCCCCc1ccc(C[C@H](N)CO)cc1.
What is the InChIKey of (2S)-2-amino-3-(4-hexylphenyl)propan-1-ol?
The InChIKey is ZJEBSJSDIJDKIZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-3-4-5-6-13-7-9-14(10-8-13)11-15(16)12-17/h7-10,15,17H,2-6,11-12,16H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hexylphenyl)propan-1-ol?
(2S)-2-amino-3-(4-hexylphenyl)propan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.67, 8 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-hexylphenyl)propan-1-ol is sourced from PubChem (CID 66563404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).