4-(2-amino-4,5-dichloroanilino)butan-1-ol

C10H14Cl2N2O — CID 101197853

IUPAC4-(2-amino-4,5-dichloroanilino)butan-1-ol
SMILESNc1cc(Cl)c(Cl)cc1NCCCCO
InChIInChI=1S/C10H14Cl2N2O/c11-7-5-9(13)10(6-8(7)12)14-3-1-2-4-15/h5-6,14-15H,1-4,13H2
InChIKeyPXNVSPNZVWQXTN-UHFFFAOYSA-N
MW249.14 g/mol
LogP2.76
Rot. Bonds5

About 4-(2-amino-4,5-dichloroanilino)butan-1-ol

4-(2-amino-4,5-dichloroanilino)butan-1-ol (PubChem CID 101197853) has the molecular formula C10H14Cl2N2O and a molecular weight of 249.14 g/mol. Its IUPAC name is 4-(2-amino-4,5-dichloroanilino)butan-1-ol.

Molecular Properties

Compound Name4-(2-amino-4,5-dichloroanilino)butan-1-ol
PubChem CID101197853
Molecular FormulaC10H14Cl2N2O
Molecular Weight249.14 g/mol
Exact Mass248.05
IUPAC Name4-(2-amino-4,5-dichloroanilino)butan-1-ol
SMILESNc1cc(Cl)c(Cl)cc1NCCCCO
InChIInChI=1S/C10H14Cl2N2O/c11-7-5-9(13)10(6-8(7)12)14-3-1-2-4-15/h5-6,14-15H,1-4,13H2
InChIKeyPXNVSPNZVWQXTN-UHFFFAOYSA-N
XLogP2.76
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 52.76
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

5-(2-amino-4-chloroanilino)pentan-1-ol
CID 107316433
6-(2,4-diaminoanilino)hexan-1-ol
CID 143590092
3-(2-amino-5-chloroanilino)propan-1-ol
CID 20506299
4-(2-amino-3-chloroanilino)butan-1-ol
CID 106840311
4-(2-amino-5-fluoroanilino)butan-1-ol
CID 58656023
5-(4,5-dichloro-2-nitroanilino)pentan-1-ol
CID 107318103
5-(2-amino-4-fluoroanilino)pentan-1-ol
CID 107316402
4-(2-amino-4-fluoro-5-methoxyanilino)butan-1-ol
CID 106840294
4-chloro-5-fluoro-2-N-octylbenzene-1,2-diamine
CID 114089067
4-(2-chloro-4-iodoanilino)butan-1-ol
CID 107606514
4-amino-3-(6-hydroxyhexylamino)benzamide
CID 107843999
5-(5-bromo-2-chloroanilino)pentan-1-ol
CID 62914130

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4,5-dichloroanilino)butan-1-ol?
The IUPAC name of 4-(2-amino-4,5-dichloroanilino)butan-1-ol (CID 101197853) is 4-(2-amino-4,5-dichloroanilino)butan-1-ol.
What is the SMILES notation for 4-(2-amino-4,5-dichloroanilino)butan-1-ol?
The canonical SMILES for 4-(2-amino-4,5-dichloroanilino)butan-1-ol is Nc1cc(Cl)c(Cl)cc1NCCCCO.
What is the InChIKey of 4-(2-amino-4,5-dichloroanilino)butan-1-ol?
The InChIKey is PXNVSPNZVWQXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O/c11-7-5-9(13)10(6-8(7)12)14-3-1-2-4-15/h5-6,14-15H,1-4,13H2.
What are the key properties of 4-(2-amino-4,5-dichloroanilino)butan-1-ol?
4-(2-amino-4,5-dichloroanilino)butan-1-ol has a molecular weight of 249.14 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4,5-dichloroanilino)butan-1-ol is sourced from PubChem (CID 101197853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).