5-(3,5-dichloroanilino)pentan-1-ol

C11H15Cl2NO — CID 62227515

IUPAC5-(3,5-dichloroanilino)pentan-1-ol
SMILESOCCCCCNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H15Cl2NO/c12-9-6-10(13)8-11(7-9)14-4-2-1-3-5-15/h6-8,14-15H,1-5H2
InChIKeyRINSEFBRCPJIOS-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.57
Rot. Bonds6

About 5-(3,5-dichloroanilino)pentan-1-ol

5-(3,5-dichloroanilino)pentan-1-ol (PubChem CID 62227515) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 5-(3,5-dichloroanilino)pentan-1-ol.

Molecular Properties

Compound Name5-(3,5-dichloroanilino)pentan-1-ol
PubChem CID62227515
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name5-(3,5-dichloroanilino)pentan-1-ol
SMILESOCCCCCNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H15Cl2NO/c12-9-6-10(13)8-11(7-9)14-4-2-1-3-5-15/h6-8,14-15H,1-5H2
InChIKeyRINSEFBRCPJIOS-UHFFFAOYSA-N
XLogP3.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.57
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

6-(3,4-dichloroanilino)hexan-1-ol
CID 103801947
3-chloro-5-(2-hydroxyethylamino)phenol
CID 143894152
1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea
CID 107143334
5-(3,5-dichloroanilino)-N'-hydroxypentanimidamide
CID 77025830
6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol
CID 103918247
10-anilinodecan-1-ol
CID 10955954
3-chloro-N-decyl-5-fluoroaniline
CID 107365499
6-[(3,5-dichloro-2-pyridinyl)amino]hexan-1-ol
CID 107849091
5-(2-amino-4-chloroanilino)pentan-1-ol
CID 107316433
N-(3,5-dichlorophenyl)-5-hydroxypentanamide
CID 79019042
5-(4-bromoanilino)pentan-1-ol
CID 62227139
4-[(3-amino-5-chloro-2-pyridinyl)amino]butan-1-ol
CID 106840375

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichloroanilino)pentan-1-ol?
The IUPAC name of 5-(3,5-dichloroanilino)pentan-1-ol (CID 62227515) is 5-(3,5-dichloroanilino)pentan-1-ol.
What is the SMILES notation for 5-(3,5-dichloroanilino)pentan-1-ol?
The canonical SMILES for 5-(3,5-dichloroanilino)pentan-1-ol is OCCCCCNc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-(3,5-dichloroanilino)pentan-1-ol?
The InChIKey is RINSEFBRCPJIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c12-9-6-10(13)8-11(7-9)14-4-2-1-3-5-15/h6-8,14-15H,1-5H2.
What are the key properties of 5-(3,5-dichloroanilino)pentan-1-ol?
5-(3,5-dichloroanilino)pentan-1-ol has a molecular weight of 248.15 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichloroanilino)pentan-1-ol is sourced from PubChem (CID 62227515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).