2-(2-amino-5-fluoro-4-iodoanilino)-3-phenylpropan-1-ol

C15H16FIN2O — CID 66101497

IUPAC2-(2-amino-5-fluoro-4-iodoanilino)-3-phenylpropan-1-ol
SMILESNc1cc(I)c(F)cc1NC(CO)Cc1ccccc1
InChIInChI=1S/C15H16FIN2O/c16-12-7-15(14(18)8-13(12)17)19-11(9-20)6-10-4-2-1-3-5-10/h1-5,7-8,11,19-20H,6,9,18H2
InChIKeyICBBGBUHSHWUPG-UHFFFAOYSA-N
MW386.21 g/mol
LogP3.03
Rot. Bonds5

About 2-(2-amino-5-fluoro-4-iodoanilino)-3-phenylpropan-1-ol

2-(2-amino-5-fluoro-4-iodoanilino)-3-phenylpropan-1-ol (PubChem CID 66101497) has the molecular formula C15H16FIN2O and a molecular weight of 386.21 g/mol. Its IUPAC name is 2-(2-amino-5-fluoro-4-iodoanilino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(2-amino-5-fluoro-4-iodoanilino)-3-phenylpropan-1-ol
PubChem CID66101497
Molecular FormulaC15H16FIN2O
Molecular Weight386.21 g/mol
Exact Mass386.03
IUPAC Name2-(2-amino-5-fluoro-4-iodoanilino)-3-phenylpropan-1-ol
SMILESNc1cc(I)c(F)cc1NC(CO)Cc1ccccc1
InChIInChI=1S/C15H16FIN2O/c16-12-7-15(14(18)8-13(12)17)19-11(9-20)6-10-4-2-1-3-5-10/h1-5,7-8,11,19-20H,6,9,18H2
InChIKeyICBBGBUHSHWUPG-UHFFFAOYSA-N
XLogP3.03
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.21
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-fluoro-4-iodoanilino)propane-1,3-diol
CID 66102489
2-(2-amino-5-fluoro-4-iodoanilino)butan-1-ol
CID 66099680
4-fluoro-5-iodo-2-N-phenylbenzene-1,2-diamine
CID 66101823
2-[2-(aminomethyl)-5-chloroanilino]-3-phenylpropan-1-ol
CID 63272332
2-(2-amino-4-chloro-5-fluoroanilino)propane-1,3-diol
CID 66077669
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80828045
4-fluoro-5-iodo-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine
CID 66099931
2-(5-fluoro-2-nitroanilino)-3-phenylpropan-1-ol
CID 63260608
2-[(1-hydroxy-3-phenylpropan-2-yl)amino]benzenesulfonamide
CID 63260686
2-[2-(aminomethyl)-4-methylanilino]-3-phenylpropan-1-ol
CID 107926215
2-N-(2-fluorophenyl)-3-phenylpropane-1,2-diamine
CID 65378979
2-[(4-amino-5-methyl-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 83265448

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluoro-4-iodoanilino)-3-phenylpropan-1-ol?
The IUPAC name of 2-(2-amino-5-fluoro-4-iodoanilino)-3-phenylpropan-1-ol (CID 66101497) is 2-(2-amino-5-fluoro-4-iodoanilino)-3-phenylpropan-1-ol.
What is the SMILES notation for 2-(2-amino-5-fluoro-4-iodoanilino)-3-phenylpropan-1-ol?
The canonical SMILES for 2-(2-amino-5-fluoro-4-iodoanilino)-3-phenylpropan-1-ol is Nc1cc(I)c(F)cc1NC(CO)Cc1ccccc1.
What is the InChIKey of 2-(2-amino-5-fluoro-4-iodoanilino)-3-phenylpropan-1-ol?
The InChIKey is ICBBGBUHSHWUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FIN2O/c16-12-7-15(14(18)8-13(12)17)19-11(9-20)6-10-4-2-1-3-5-10/h1-5,7-8,11,19-20H,6,9,18H2.
What are the key properties of 2-(2-amino-5-fluoro-4-iodoanilino)-3-phenylpropan-1-ol?
2-(2-amino-5-fluoro-4-iodoanilino)-3-phenylpropan-1-ol has a molecular weight of 386.21 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluoro-4-iodoanilino)-3-phenylpropan-1-ol is sourced from PubChem (CID 66101497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).