ethane;2-fluorophenol;(4-methylphenyl)methanamine

C16H22FNO — CID 156804974

IUPACethane;2-fluorophenol;(4-methylphenyl)methanamine
SMILESCC.Cc1ccc(CN)cc1.Oc1ccccc1F
InChIInChI=1S/C8H11N.C6H5FO.C2H6/c1-7-2-4-8(6-9)5-3-7;7-5-3-1-2-4-6(5)8;1-2/h2-5H,6,9H2,1H3;1-4,8H;1-2H3
InChIKeyOLVXVWMHAQOSGL-UHFFFAOYSA-N
MW263.36 g/mol
LogP4.01
Rot. Bonds1

About ethane;2-fluorophenol;(4-methylphenyl)methanamine

ethane;2-fluorophenol;(4-methylphenyl)methanamine (PubChem CID 156804974) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is ethane;2-fluorophenol;(4-methylphenyl)methanamine.

Molecular Properties

Compound Nameethane;2-fluorophenol;(4-methylphenyl)methanamine
PubChem CID156804974
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Nameethane;2-fluorophenol;(4-methylphenyl)methanamine
SMILESCC.Cc1ccc(CN)cc1.Oc1ccccc1F
InChIInChI=1S/C8H11N.C6H5FO.C2H6/c1-7-2-4-8(6-9)5-3-7;7-5-3-1-2-4-6(5)8;1-2/h2-5H,6,9H2,1H3;1-4,8H;1-2H3
InChIKeyOLVXVWMHAQOSGL-UHFFFAOYSA-N
XLogP4.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxybenzylamine
CID 97472
4-(2-Amino-2-phenylethyl)phenol
CID 199693
2-[[2-(2-Fluorophenyl)ethylamino]methyl]phenol
CID 28449746
4-[(Z)-1-[4-(3-aminopropyl)phenyl]-2-phenylbut-1-enyl]phenol
CID 118735380
2-[[3-(2-Fluorophenyl)propylamino]methyl]phenol
CID 134131682
2-[3-[(3-Fluorophenyl)methylamino]propyl]phenol
CID 134133176
2-[2-[(3-Fluorophenyl)methylamino]ethyl]phenol
CID 134137355
2-[3-[(4-Fluorophenyl)methylamino]propyl]phenol
CID 134152940
2-[3-[(2-Fluorophenyl)methylamino]propyl]phenol
CID 134155275
2-[2-[(2-Fluorophenyl)methylamino]ethyl]phenol
CID 134157152
4-(Amino-P-tolyl-methyl)-phenol
CID 3721943
Phenol, 4-(2-aminoethyl)-2-fluoro-, hydrobromide
CID 3087244

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluorophenol;(4-methylphenyl)methanamine?
The IUPAC name of ethane;2-fluorophenol;(4-methylphenyl)methanamine (CID 156804974) is ethane;2-fluorophenol;(4-methylphenyl)methanamine.
What is the SMILES notation for ethane;2-fluorophenol;(4-methylphenyl)methanamine?
The canonical SMILES for ethane;2-fluorophenol;(4-methylphenyl)methanamine is CC.Cc1ccc(CN)cc1.Oc1ccccc1F.
What is the InChIKey of ethane;2-fluorophenol;(4-methylphenyl)methanamine?
The InChIKey is OLVXVWMHAQOSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C6H5FO.C2H6/c1-7-2-4-8(6-9)5-3-7;7-5-3-1-2-4-6(5)8;1-2/h2-5H,6,9H2,1H3;1-4,8H;1-2H3.
What are the key properties of ethane;2-fluorophenol;(4-methylphenyl)methanamine?
ethane;2-fluorophenol;(4-methylphenyl)methanamine has a molecular weight of 263.36 g/mol, XLogP of 4.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluorophenol;(4-methylphenyl)methanamine is sourced from PubChem (CID 156804974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).