1-(4-amino-5-fluoro-2-methylanilino)-3-phenylmethoxypropan-2-ol

C17H21FN2O2 — CID 123848529

IUPAC1-(4-amino-5-fluoro-2-methylanilino)-3-phenylmethoxypropan-2-ol
SMILESCc1cc(N)c(F)cc1NCC(O)COCc1ccccc1
InChIInChI=1S/C17H21FN2O2/c1-12-7-16(19)15(18)8-17(12)20-9-14(21)11-22-10-13-5-3-2-4-6-13/h2-8,14,20-21H,9-11,19H2,1H3
InChIKeyKXQGASVTWCGDCA-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.71
Rot. Bonds7

About 1-(4-amino-5-fluoro-2-methylanilino)-3-phenylmethoxypropan-2-ol

1-(4-amino-5-fluoro-2-methylanilino)-3-phenylmethoxypropan-2-ol (PubChem CID 123848529) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-(4-amino-5-fluoro-2-methylanilino)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(4-amino-5-fluoro-2-methylanilino)-3-phenylmethoxypropan-2-ol
PubChem CID123848529
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name1-(4-amino-5-fluoro-2-methylanilino)-3-phenylmethoxypropan-2-ol
SMILESCc1cc(N)c(F)cc1NCC(O)COCc1ccccc1
InChIInChI=1S/C17H21FN2O2/c1-12-7-16(19)15(18)8-17(12)20-9-14(21)11-22-10-13-5-3-2-4-6-13/h2-8,14,20-21H,9-11,19H2,1H3
InChIKeyKXQGASVTWCGDCA-UHFFFAOYSA-N
XLogP2.71
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(4-amino-5-fluoro-2-methylanilino)-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(4-amino-5-fluoro-2-methylanilino)-3-phenylmethoxypropan-2-ol (CID 123848529) is 1-(4-amino-5-fluoro-2-methylanilino)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(4-amino-5-fluoro-2-methylanilino)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(4-amino-5-fluoro-2-methylanilino)-3-phenylmethoxypropan-2-ol is Cc1cc(N)c(F)cc1NCC(O)COCc1ccccc1.
What is the InChIKey of 1-(4-amino-5-fluoro-2-methylanilino)-3-phenylmethoxypropan-2-ol?
The InChIKey is KXQGASVTWCGDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-12-7-16(19)15(18)8-17(12)20-9-14(21)11-22-10-13-5-3-2-4-6-13/h2-8,14,20-21H,9-11,19H2,1H3.
What are the key properties of 1-(4-amino-5-fluoro-2-methylanilino)-3-phenylmethoxypropan-2-ol?
1-(4-amino-5-fluoro-2-methylanilino)-3-phenylmethoxypropan-2-ol has a molecular weight of 304.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-fluoro-2-methylanilino)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 123848529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).