2-[amino-deuterio-(4-methylphenyl)methyl]-4-fluorophenol

C14H14FNO — CID 176599298

IUPAC2-[amino-deuterio-(4-methylphenyl)methyl]-4-fluorophenol
SMILES[2H]C(N)(c1ccc(C)cc1)c1cc(F)ccc1O
InChIInChI=1S/C14H14FNO/c1-9-2-4-10(5-3-9)14(16)12-8-11(15)6-7-13(12)17/h2-8,14,17H,16H2,1H3/i14D
InChIKeyTZUCXLCAMSJDRU-FCFVPJCTSA-N
MW232.28 g/mol
LogP2.89
Rot. Bonds2

About 2-[amino-deuterio-(4-methylphenyl)methyl]-4-fluorophenol

2-[amino-deuterio-(4-methylphenyl)methyl]-4-fluorophenol (PubChem CID 176599298) has the molecular formula C14H14FNO and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[amino-deuterio-(4-methylphenyl)methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[amino-deuterio-(4-methylphenyl)methyl]-4-fluorophenol
PubChem CID176599298
Molecular FormulaC14H14FNO
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2-[amino-deuterio-(4-methylphenyl)methyl]-4-fluorophenol
SMILES[2H]C(N)(c1ccc(C)cc1)c1cc(F)ccc1O
InChIInChI=1S/C14H14FNO/c1-9-2-4-10(5-3-9)14(16)12-8-11(15)6-7-13(12)17/h2-8,14,17H,16H2,1H3/i14D
InChIKeyTZUCXLCAMSJDRU-FCFVPJCTSA-N
XLogP2.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol
CID 81350079
2-(5-fluoro-2-hydroxyphenyl)-2-(4-methylanilino)acetamide
CID 107698125
4-fluoro-2-(1-hydroxyethyl)phenol
CID 53406163
2-(1,2-diaminobutyl)-4-fluorophenol
CID 130898716
4-fluoro-2-[hydroxy(phenyl)methyl]phenol
CID 83392868
4-fluoro-2-(1-hydrazinylethyl)phenol
CID 53402356
2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride
CID 162344095
2-[(1R,2S)-1-amino-2-hydroxy-5-methylhexyl]-4-fluorophenol;hydrochloride
CID 171261014
4-methyl-2-[1-(4-methylphenyl)ethyl]phenol
CID 46930570
(3-fluoro-5-methylphenyl)-(4-methylphenyl)methanamine
CID 79704327
2-[(1S)-1-aminohexyl]-4-fluorophenol
CID 171218475
(3S)-3-amino-3-(5-fluoro-2-hydroxyphenyl)propanoic acid;hydrochloride
CID 162344213

Frequently Asked Questions

What is the IUPAC name of 2-[amino-deuterio-(4-methylphenyl)methyl]-4-fluorophenol?
The IUPAC name of 2-[amino-deuterio-(4-methylphenyl)methyl]-4-fluorophenol (CID 176599298) is 2-[amino-deuterio-(4-methylphenyl)methyl]-4-fluorophenol.
What is the SMILES notation for 2-[amino-deuterio-(4-methylphenyl)methyl]-4-fluorophenol?
The canonical SMILES for 2-[amino-deuterio-(4-methylphenyl)methyl]-4-fluorophenol is [2H]C(N)(c1ccc(C)cc1)c1cc(F)ccc1O.
What is the InChIKey of 2-[amino-deuterio-(4-methylphenyl)methyl]-4-fluorophenol?
The InChIKey is TZUCXLCAMSJDRU-FCFVPJCTSA-N. The full InChI is InChI=1S/C14H14FNO/c1-9-2-4-10(5-3-9)14(16)12-8-11(15)6-7-13(12)17/h2-8,14,17H,16H2,1H3/i14D.
What are the key properties of 2-[amino-deuterio-(4-methylphenyl)methyl]-4-fluorophenol?
2-[amino-deuterio-(4-methylphenyl)methyl]-4-fluorophenol has a molecular weight of 232.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-deuterio-(4-methylphenyl)methyl]-4-fluorophenol is sourced from PubChem (CID 176599298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).