1-(2-amino-4-chloro-5-fluoro-N-methylanilino)propan-2-ol

C10H14ClFN2O — CID 66078809

IUPAC1-(2-amino-4-chloro-5-fluoro-N-methylanilino)propan-2-ol
SMILESCC(O)CN(C)c1cc(F)c(Cl)cc1N
InChIInChI=1S/C10H14ClFN2O/c1-6(15)5-14(2)10-4-8(12)7(11)3-9(10)13/h3-4,6,15H,5,13H2,1-2H3
InChIKeyVLIJZSBHDDPQFG-UHFFFAOYSA-N
MW232.69 g/mol
LogP1.88
Rot. Bonds3

About 1-(2-amino-4-chloro-5-fluoro-N-methylanilino)propan-2-ol

1-(2-amino-4-chloro-5-fluoro-N-methylanilino)propan-2-ol (PubChem CID 66078809) has the molecular formula C10H14ClFN2O and a molecular weight of 232.69 g/mol. Its IUPAC name is 1-(2-amino-4-chloro-5-fluoro-N-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2-amino-4-chloro-5-fluoro-N-methylanilino)propan-2-ol
PubChem CID66078809
Molecular FormulaC10H14ClFN2O
Molecular Weight232.69 g/mol
Exact Mass232.08
IUPAC Name1-(2-amino-4-chloro-5-fluoro-N-methylanilino)propan-2-ol
SMILESCC(O)CN(C)c1cc(F)c(Cl)cc1N
InChIInChI=1S/C10H14ClFN2O/c1-6(15)5-14(2)10-4-8(12)7(11)3-9(10)13/h3-4,6,15H,5,13H2,1-2H3
InChIKeyVLIJZSBHDDPQFG-UHFFFAOYSA-N
XLogP1.88
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-chloro-5-fluoro-N-methylanilino)propan-2-ol?
The IUPAC name of 1-(2-amino-4-chloro-5-fluoro-N-methylanilino)propan-2-ol (CID 66078809) is 1-(2-amino-4-chloro-5-fluoro-N-methylanilino)propan-2-ol.
What is the SMILES notation for 1-(2-amino-4-chloro-5-fluoro-N-methylanilino)propan-2-ol?
The canonical SMILES for 1-(2-amino-4-chloro-5-fluoro-N-methylanilino)propan-2-ol is CC(O)CN(C)c1cc(F)c(Cl)cc1N.
What is the InChIKey of 1-(2-amino-4-chloro-5-fluoro-N-methylanilino)propan-2-ol?
The InChIKey is VLIJZSBHDDPQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O/c1-6(15)5-14(2)10-4-8(12)7(11)3-9(10)13/h3-4,6,15H,5,13H2,1-2H3.
What are the key properties of 1-(2-amino-4-chloro-5-fluoro-N-methylanilino)propan-2-ol?
1-(2-amino-4-chloro-5-fluoro-N-methylanilino)propan-2-ol has a molecular weight of 232.69 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-chloro-5-fluoro-N-methylanilino)propan-2-ol is sourced from PubChem (CID 66078809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).