4-[2-(2-amino-4-fluoro-5-methylanilino)ethyl]phenol

C15H17FN2O — CID 103590041

IUPAC4-[2-(2-amino-4-fluoro-5-methylanilino)ethyl]phenol
SMILESCc1cc(NCCc2ccc(O)cc2)c(N)cc1F
InChIInChI=1S/C15H17FN2O/c1-10-8-15(14(17)9-13(10)16)18-7-6-11-2-4-12(19)5-3-11/h2-5,8-9,18-19H,6-7,17H2,1H3
InChIKeyIDGWUTXLCMZNHJ-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.08
Rot. Bonds4

About 4-[2-(2-amino-4-fluoro-5-methylanilino)ethyl]phenol

4-[2-(2-amino-4-fluoro-5-methylanilino)ethyl]phenol (PubChem CID 103590041) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-[2-(2-amino-4-fluoro-5-methylanilino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(2-amino-4-fluoro-5-methylanilino)ethyl]phenol
PubChem CID103590041
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name4-[2-(2-amino-4-fluoro-5-methylanilino)ethyl]phenol
SMILESCc1cc(NCCc2ccc(O)cc2)c(N)cc1F
InChIInChI=1S/C15H17FN2O/c1-10-8-15(14(17)9-13(10)16)18-7-6-11-2-4-12(19)5-3-11/h2-5,8-9,18-19H,6-7,17H2,1H3
InChIKeyIDGWUTXLCMZNHJ-UHFFFAOYSA-N
XLogP3.08
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.08
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

1-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-2-ol
CID 103590481
3-(2-amino-4-fluoro-5-methylanilino)propanamide
CID 103589966
4-[2-(3-amino-2-methylanilino)ethyl]phenol
CID 55146611
4-bromo-5-fluoro-1-N-[2-(4-fluorophenyl)ethyl]benzene-1,2-diamine
CID 66112244
4-fluoro-1-N-hexyl-5-methylbenzene-1,2-diamine
CID 103590438
1-N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 106166262
4-[2-(2-amino-4-methylsulfonylanilino)ethyl]phenol
CID 61238883
2-(2-amino-4-fluoro-5-methylanilino)ethanesulfonamide
CID 103589964
4-amino-3-[2-(4-hydroxyphenyl)ethylamino]benzonitrile
CID 104711613
4-[2-(3,5-dimethylanilino)ethyl]phenol
CID 170698256
4-[(2,5-difluoro-4-methylanilino)methyl]phenol
CID 103585182
4-fluoro-5-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine
CID 103590813

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-amino-4-fluoro-5-methylanilino)ethyl]phenol?
The IUPAC name of 4-[2-(2-amino-4-fluoro-5-methylanilino)ethyl]phenol (CID 103590041) is 4-[2-(2-amino-4-fluoro-5-methylanilino)ethyl]phenol.
What is the SMILES notation for 4-[2-(2-amino-4-fluoro-5-methylanilino)ethyl]phenol?
The canonical SMILES for 4-[2-(2-amino-4-fluoro-5-methylanilino)ethyl]phenol is Cc1cc(NCCc2ccc(O)cc2)c(N)cc1F.
What is the InChIKey of 4-[2-(2-amino-4-fluoro-5-methylanilino)ethyl]phenol?
The InChIKey is IDGWUTXLCMZNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10-8-15(14(17)9-13(10)16)18-7-6-11-2-4-12(19)5-3-11/h2-5,8-9,18-19H,6-7,17H2,1H3.
What are the key properties of 4-[2-(2-amino-4-fluoro-5-methylanilino)ethyl]phenol?
4-[2-(2-amino-4-fluoro-5-methylanilino)ethyl]phenol has a molecular weight of 260.31 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-amino-4-fluoro-5-methylanilino)ethyl]phenol is sourced from PubChem (CID 103590041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).