5-[4-(2-hydroxyethyl)anilino]pentan-1-ol

C13H21NO2 — CID 83962274

IUPAC5-[4-(2-hydroxyethyl)anilino]pentan-1-ol
SMILESOCCCCCNc1ccc(CCO)cc1
InChIInChI=1S/C13H21NO2/c15-10-3-1-2-9-14-13-6-4-12(5-7-13)8-11-16/h4-7,14-16H,1-3,8-11H2
InChIKeySVOMNXBIQZJMIW-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.80
Rot. Bonds8

About 5-[4-(2-hydroxyethyl)anilino]pentan-1-ol

5-[4-(2-hydroxyethyl)anilino]pentan-1-ol (PubChem CID 83962274) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-[4-(2-hydroxyethyl)anilino]pentan-1-ol.

Molecular Properties

Compound Name5-[4-(2-hydroxyethyl)anilino]pentan-1-ol
PubChem CID83962274
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name5-[4-(2-hydroxyethyl)anilino]pentan-1-ol
SMILESOCCCCCNc1ccc(CCO)cc1
InChIInChI=1S/C13H21NO2/c15-10-3-1-2-9-14-13-6-4-12(5-7-13)8-11-16/h4-7,14-16H,1-3,8-11H2
InChIKeySVOMNXBIQZJMIW-UHFFFAOYSA-N
XLogP1.80
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.80
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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Related Compounds

6-(4-propylanilino)hexan-1-ol
CID 103868001
2-[4-(pentadecylamino)phenyl]ethanol
CID 20525862
5-(4-butylanilino)pentan-1-ol
CID 62228069
5-[4-(methoxymethyl)anilino]pentan-1-ol
CID 83961071
5-(4-bromoanilino)pentan-1-ol
CID 62227139
10-anilinodecan-1-ol
CID 10955954
6-[4-(difluoromethoxy)anilino]hexan-1-ol
CID 113264757
4-N-[4-(4-aminophenyl)butyl]benzene-1,4-diamine
CID 58212339
[4-(4-aminobutylamino)phenyl]methanol
CID 83962271
6-(4-ethylsulfonylanilino)hexan-1-ol
CID 103867994
6-(3,4-dichloroanilino)hexan-1-ol
CID 103801947
5-[4-[(4-methylpiperidin-1-yl)methyl]anilino]pentan-1-ol
CID 83960901

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-hydroxyethyl)anilino]pentan-1-ol?
The IUPAC name of 5-[4-(2-hydroxyethyl)anilino]pentan-1-ol (CID 83962274) is 5-[4-(2-hydroxyethyl)anilino]pentan-1-ol.
What is the SMILES notation for 5-[4-(2-hydroxyethyl)anilino]pentan-1-ol?
The canonical SMILES for 5-[4-(2-hydroxyethyl)anilino]pentan-1-ol is OCCCCCNc1ccc(CCO)cc1.
What is the InChIKey of 5-[4-(2-hydroxyethyl)anilino]pentan-1-ol?
The InChIKey is SVOMNXBIQZJMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-10-3-1-2-9-14-13-6-4-12(5-7-13)8-11-16/h4-7,14-16H,1-3,8-11H2.
What are the key properties of 5-[4-(2-hydroxyethyl)anilino]pentan-1-ol?
5-[4-(2-hydroxyethyl)anilino]pentan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-hydroxyethyl)anilino]pentan-1-ol is sourced from PubChem (CID 83962274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).