5-(3-amino-4-methylanilino)-2-fluorophenol;formamide

C14H16FN3O2 — CID 143694353

IUPAC5-(3-amino-4-methylanilino)-2-fluorophenol;formamide
SMILESCc1ccc(Nc2ccc(F)c(O)c2)cc1N.NC=O
InChIInChI=1S/C13H13FN2O.CH3NO/c1-8-2-3-9(6-12(8)15)16-10-4-5-11(14)13(17)7-10;2-1-3/h2-7,16-17H,15H2,1H3;1H,(H2,2,3)
InChIKeyJDNNKZDSNBSDPM-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.27
Rot. Bonds2

About 5-(3-amino-4-methylanilino)-2-fluorophenol;formamide

5-(3-amino-4-methylanilino)-2-fluorophenol;formamide (PubChem CID 143694353) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 5-(3-amino-4-methylanilino)-2-fluorophenol;formamide.

Molecular Properties

Compound Name5-(3-amino-4-methylanilino)-2-fluorophenol;formamide
PubChem CID143694353
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name5-(3-amino-4-methylanilino)-2-fluorophenol;formamide
SMILESCc1ccc(Nc2ccc(F)c(O)c2)cc1N.NC=O
InChIInChI=1S/C13H13FN2O.CH3NO/c1-8-2-3-9(6-12(8)15)16-10-4-5-11(14)13(17)7-10;2-1-3/h2-7,16-17H,15H2,1H3;1H,(H2,2,3)
InChIKeyJDNNKZDSNBSDPM-UHFFFAOYSA-N
XLogP2.27
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-(4-bromo-2-fluorophenyl)-4-methylbenzene-1,3-diamine
CID 55131320
1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 55130746
1-[2-amino-5-(4-fluoro-3-methylanilino)phenyl]ethanone
CID 104612747
2-amino-5-(4-fluoro-3-methylanilino)benzamide
CID 62814148
N-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide
CID 24700004
3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 107699249
4-(3-amino-4-methylanilino)benzonitrile
CID 62911619
1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62911783
1-N-(3-bromo-5-methylphenyl)-4-methylbenzene-1,3-diamine
CID 107581891
1-N-methoxy-4-methylbenzene-1,3-diamine
CID 87287100
2-N,4-N-bis(3-amino-4-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 22060880
methyl 2-amino-5-(3-fluoro-4-methylanilino)benzoate
CID 61306389

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-4-methylanilino)-2-fluorophenol;formamide?
The IUPAC name of 5-(3-amino-4-methylanilino)-2-fluorophenol;formamide (CID 143694353) is 5-(3-amino-4-methylanilino)-2-fluorophenol;formamide.
What is the SMILES notation for 5-(3-amino-4-methylanilino)-2-fluorophenol;formamide?
The canonical SMILES for 5-(3-amino-4-methylanilino)-2-fluorophenol;formamide is Cc1ccc(Nc2ccc(F)c(O)c2)cc1N.NC=O.
What is the InChIKey of 5-(3-amino-4-methylanilino)-2-fluorophenol;formamide?
The InChIKey is JDNNKZDSNBSDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O.CH3NO/c1-8-2-3-9(6-12(8)15)16-10-4-5-11(14)13(17)7-10;2-1-3/h2-7,16-17H,15H2,1H3;1H,(H2,2,3).
What are the key properties of 5-(3-amino-4-methylanilino)-2-fluorophenol;formamide?
5-(3-amino-4-methylanilino)-2-fluorophenol;formamide has a molecular weight of 277.30 g/mol, XLogP of 2.27, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-4-methylanilino)-2-fluorophenol;formamide is sourced from PubChem (CID 143694353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).