6-[4-(2-hydroxyethyl)anilino]hexan-1-ol

C14H23NO2 — CID 51361038

IUPAC6-[4-(2-hydroxyethyl)anilino]hexan-1-ol
SMILESOCCCCCCNc1ccc(CCO)cc1
InChIInChI=1S/C14H23NO2/c16-11-4-2-1-3-10-15-14-7-5-13(6-8-14)9-12-17/h5-8,15-17H,1-4,9-12H2
InChIKeyFSAJXQORKCLFQC-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.19
Rot. Bonds9

About 6-[4-(2-hydroxyethyl)anilino]hexan-1-ol

6-[4-(2-hydroxyethyl)anilino]hexan-1-ol (PubChem CID 51361038) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 6-[4-(2-hydroxyethyl)anilino]hexan-1-ol.

Molecular Properties

Compound Name6-[4-(2-hydroxyethyl)anilino]hexan-1-ol
PubChem CID51361038
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name6-[4-(2-hydroxyethyl)anilino]hexan-1-ol
SMILESOCCCCCCNc1ccc(CCO)cc1
InChIInChI=1S/C14H23NO2/c16-11-4-2-1-3-10-15-14-7-5-13(6-8-14)9-12-17/h5-8,15-17H,1-4,9-12H2
InChIKeyFSAJXQORKCLFQC-UHFFFAOYSA-N
XLogP2.19
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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(R,S/S,R)-syn-1-(methyl(phenyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
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(1S,2R)-1-(methyl(o-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
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(R,S/S,R)-syn-1-(methyl(m-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-hydroxyethyl)anilino]hexan-1-ol?
The IUPAC name of 6-[4-(2-hydroxyethyl)anilino]hexan-1-ol (CID 51361038) is 6-[4-(2-hydroxyethyl)anilino]hexan-1-ol.
What is the SMILES notation for 6-[4-(2-hydroxyethyl)anilino]hexan-1-ol?
The canonical SMILES for 6-[4-(2-hydroxyethyl)anilino]hexan-1-ol is OCCCCCCNc1ccc(CCO)cc1.
What is the InChIKey of 6-[4-(2-hydroxyethyl)anilino]hexan-1-ol?
The InChIKey is FSAJXQORKCLFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c16-11-4-2-1-3-10-15-14-7-5-13(6-8-14)9-12-17/h5-8,15-17H,1-4,9-12H2.
What are the key properties of 6-[4-(2-hydroxyethyl)anilino]hexan-1-ol?
6-[4-(2-hydroxyethyl)anilino]hexan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.19, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-hydroxyethyl)anilino]hexan-1-ol is sourced from PubChem (CID 51361038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).