4-(2-amino-4-chloro-5-fluoroanilino)butan-2-ol

C10H14ClFN2O — CID 66077275

IUPAC4-(2-amino-4-chloro-5-fluoroanilino)butan-2-ol
SMILESCC(O)CCNc1cc(F)c(Cl)cc1N
InChIInChI=1S/C10H14ClFN2O/c1-6(15)2-3-14-10-5-8(12)7(11)4-9(10)13/h4-6,14-15H,2-3,13H2,1H3
InChIKeyHTVPSQWMQPHCKL-UHFFFAOYSA-N
MW232.69 g/mol
LogP2.24
Rot. Bonds4

About 4-(2-amino-4-chloro-5-fluoroanilino)butan-2-ol

4-(2-amino-4-chloro-5-fluoroanilino)butan-2-ol (PubChem CID 66077275) has the molecular formula C10H14ClFN2O and a molecular weight of 232.69 g/mol. Its IUPAC name is 4-(2-amino-4-chloro-5-fluoroanilino)butan-2-ol.

Molecular Properties

Compound Name4-(2-amino-4-chloro-5-fluoroanilino)butan-2-ol
PubChem CID66077275
Molecular FormulaC10H14ClFN2O
Molecular Weight232.69 g/mol
Exact Mass232.08
IUPAC Name4-(2-amino-4-chloro-5-fluoroanilino)butan-2-ol
SMILESCC(O)CCNc1cc(F)c(Cl)cc1N
InChIInChI=1S/C10H14ClFN2O/c1-6(15)2-3-14-10-5-8(12)7(11)4-9(10)13/h4-6,14-15H,2-3,13H2,1H3
InChIKeyHTVPSQWMQPHCKL-UHFFFAOYSA-N
XLogP2.24
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-4-chloro-5-fluoroanilino)-1-methoxybutan-2-ol
CID 114163073
4-(2-amino-5-fluoroanilino)butan-2-ol
CID 64927265
5-(2-amino-4-bromo-5-fluoroanilino)pentan-2-ol
CID 106119811
4-chloro-5-fluoro-1-N-[4-[methyl(propan-2-yl)amino]butyl]benzene-1,2-diamine
CID 66077440
4-chloro-1-N-(2-ethoxyethyl)-5-fluorobenzene-1,2-diamine
CID 66077409
4-(4-amino-2-fluoroanilino)butan-2-ol
CID 64928841
5-(2-amino-5-bromo-4-fluoroanilino)pentan-2-ol
CID 106119789
4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol
CID 107259327
3-(2-amino-4-chloro-5-fluoroanilino)-2-hydroxypropanamide
CID 106166630
2-(2-amino-4-chloro-5-fluoroanilino)-4-methylpentan-1-ol
CID 66077415
tert-butyl N-[2-(2-amino-4-chloro-5-fluoroanilino)ethyl]carbamate
CID 114517992
4-(2-amino-5-bromoanilino)butan-2-ol
CID 65342417

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-chloro-5-fluoroanilino)butan-2-ol?
The IUPAC name of 4-(2-amino-4-chloro-5-fluoroanilino)butan-2-ol (CID 66077275) is 4-(2-amino-4-chloro-5-fluoroanilino)butan-2-ol.
What is the SMILES notation for 4-(2-amino-4-chloro-5-fluoroanilino)butan-2-ol?
The canonical SMILES for 4-(2-amino-4-chloro-5-fluoroanilino)butan-2-ol is CC(O)CCNc1cc(F)c(Cl)cc1N.
What is the InChIKey of 4-(2-amino-4-chloro-5-fluoroanilino)butan-2-ol?
The InChIKey is HTVPSQWMQPHCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O/c1-6(15)2-3-14-10-5-8(12)7(11)4-9(10)13/h4-6,14-15H,2-3,13H2,1H3.
What are the key properties of 4-(2-amino-4-chloro-5-fluoroanilino)butan-2-ol?
4-(2-amino-4-chloro-5-fluoroanilino)butan-2-ol has a molecular weight of 232.69 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-chloro-5-fluoroanilino)butan-2-ol is sourced from PubChem (CID 66077275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).