(Z,2S,3R)-2-amino-1-phenyltetradec-9-en-3-ol

C20H33NO — CID 156581199

IUPAC(Z,2S,3R)-2-amino-1-phenyltetradec-9-en-3-ol
SMILESCCCC/C=C\CCCCC[C@@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-9-13-16-20(22)19(21)17-18-14-11-10-12-15-18/h5-6,10-12,14-15,19-20,22H,2-4,7-9,13,16-17,21H2,1H3/b6-5-/t19-,20+/m0/s1
InChIKeyFKPYLTODMCREPA-DXPXIUTNSA-N
MW303.49 g/mol
LogP4.61
Rot. Bonds12

About (Z,2S,3R)-2-amino-1-phenyltetradec-9-en-3-ol

(Z,2S,3R)-2-amino-1-phenyltetradec-9-en-3-ol (PubChem CID 156581199) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is (Z,2S,3R)-2-amino-1-phenyltetradec-9-en-3-ol.

Molecular Properties

Compound Name(Z,2S,3R)-2-amino-1-phenyltetradec-9-en-3-ol
PubChem CID156581199
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name(Z,2S,3R)-2-amino-1-phenyltetradec-9-en-3-ol
SMILESCCCC/C=C\CCCCC[C@@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-9-13-16-20(22)19(21)17-18-14-11-10-12-15-18/h5-6,10-12,14-15,19-20,22H,2-4,7-9,13,16-17,21H2,1H3/b6-5-/t19-,20+/m0/s1
InChIKeyFKPYLTODMCREPA-DXPXIUTNSA-N
XLogP4.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2S,3R)-2-amino-1-phenyltetradec-9-en-3-ol?
The IUPAC name of (Z,2S,3R)-2-amino-1-phenyltetradec-9-en-3-ol (CID 156581199) is (Z,2S,3R)-2-amino-1-phenyltetradec-9-en-3-ol.
What is the SMILES notation for (Z,2S,3R)-2-amino-1-phenyltetradec-9-en-3-ol?
The canonical SMILES for (Z,2S,3R)-2-amino-1-phenyltetradec-9-en-3-ol is CCCC/C=C\CCCCC[C@@H](O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (Z,2S,3R)-2-amino-1-phenyltetradec-9-en-3-ol?
The InChIKey is FKPYLTODMCREPA-DXPXIUTNSA-N. The full InChI is InChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-9-13-16-20(22)19(21)17-18-14-11-10-12-15-18/h5-6,10-12,14-15,19-20,22H,2-4,7-9,13,16-17,21H2,1H3/b6-5-/t19-,20+/m0/s1.
What are the key properties of (Z,2S,3R)-2-amino-1-phenyltetradec-9-en-3-ol?
(Z,2S,3R)-2-amino-1-phenyltetradec-9-en-3-ol has a molecular weight of 303.49 g/mol, XLogP of 4.61, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S,3R)-2-amino-1-phenyltetradec-9-en-3-ol is sourced from PubChem (CID 156581199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).