5-(2-amino-4-chloroanilino)pentan-1-ol

C11H17ClN2O — CID 107316433

IUPAC5-(2-amino-4-chloroanilino)pentan-1-ol
SMILESNc1cc(Cl)ccc1NCCCCCO
InChIInChI=1S/C11H17ClN2O/c12-9-4-5-11(10(13)8-9)14-6-2-1-3-7-15/h4-5,8,14-15H,1-3,6-7,13H2
InChIKeyNSPIQMXNVDUVAT-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.50
Rot. Bonds6

About 5-(2-amino-4-chloroanilino)pentan-1-ol

5-(2-amino-4-chloroanilino)pentan-1-ol (PubChem CID 107316433) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 5-(2-amino-4-chloroanilino)pentan-1-ol.

Molecular Properties

Compound Name5-(2-amino-4-chloroanilino)pentan-1-ol
PubChem CID107316433
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name5-(2-amino-4-chloroanilino)pentan-1-ol
SMILESNc1cc(Cl)ccc1NCCCCCO
InChIInChI=1S/C11H17ClN2O/c12-9-4-5-11(10(13)8-9)14-6-2-1-3-7-15/h4-5,8,14-15H,1-3,6-7,13H2
InChIKeyNSPIQMXNVDUVAT-UHFFFAOYSA-N
XLogP2.50
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2,4-diaminoanilino)hexan-1-ol
CID 143590092
5-(2-amino-4-fluoroanilino)pentan-1-ol
CID 107316402
3-(2-amino-5-chloroanilino)propan-1-ol
CID 20506299
4-(2-amino-4,5-dichloroanilino)butan-1-ol
CID 101197853
5-(2-amino-4-chloroanilino)-2-methylpentan-1-ol
CID 106154375
5-chloro-2-(5-hydroxypentylamino)benzoic acid
CID 107317969
N-[4-chloro-2-(5-hydroxypentylamino)phenyl]acetamide
CID 111770376
4-chloro-1-N-(3-ethoxypropyl)benzene-1,2-diamine
CID 28904711
3-(2-bromo-4-chloroanilino)propan-1-ol
CID 80979319
4-[(3-amino-5-chloro-2-pyridinyl)amino]butan-1-ol
CID 106840375
ethyl 4-(2-amino-4-chloroanilino)butanoate
CID 64575580
3-(2-amino-4-chloroanilino)propane-1,2-diol
CID 66176123

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-chloroanilino)pentan-1-ol?
The IUPAC name of 5-(2-amino-4-chloroanilino)pentan-1-ol (CID 107316433) is 5-(2-amino-4-chloroanilino)pentan-1-ol.
What is the SMILES notation for 5-(2-amino-4-chloroanilino)pentan-1-ol?
The canonical SMILES for 5-(2-amino-4-chloroanilino)pentan-1-ol is Nc1cc(Cl)ccc1NCCCCCO.
What is the InChIKey of 5-(2-amino-4-chloroanilino)pentan-1-ol?
The InChIKey is NSPIQMXNVDUVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c12-9-4-5-11(10(13)8-9)14-6-2-1-3-7-15/h4-5,8,14-15H,1-3,6-7,13H2.
What are the key properties of 5-(2-amino-4-chloroanilino)pentan-1-ol?
5-(2-amino-4-chloroanilino)pentan-1-ol has a molecular weight of 228.72 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-chloroanilino)pentan-1-ol is sourced from PubChem (CID 107316433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).