4-[4-[2-fluoroethyl(methyl)amino]-2-methylphenyl]-3-propylphenol

C19H24FNO — CID 166959330

IUPAC4-[4-[2-fluoroethyl(methyl)amino]-2-methylphenyl]-3-propylphenol
SMILESCCCc1cc(O)ccc1-c1ccc(N(C)CCF)cc1C
InChIInChI=1S/C19H24FNO/c1-4-5-15-13-17(22)7-9-19(15)18-8-6-16(12-14(18)2)21(3)11-10-20/h6-9,12-13,22H,4-5,10-11H2,1-3H3
InChIKeyVXNWCGKSVMWIBE-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.73
Rot. Bonds6

About 4-[4-[2-fluoroethyl(methyl)amino]-2-methylphenyl]-3-propylphenol

4-[4-[2-fluoroethyl(methyl)amino]-2-methylphenyl]-3-propylphenol (PubChem CID 166959330) has the molecular formula C19H24FNO and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-[4-[2-fluoroethyl(methyl)amino]-2-methylphenyl]-3-propylphenol.

Molecular Properties

Compound Name4-[4-[2-fluoroethyl(methyl)amino]-2-methylphenyl]-3-propylphenol
PubChem CID166959330
Molecular FormulaC19H24FNO
Molecular Weight301.41 g/mol
Exact Mass301.18
IUPAC Name4-[4-[2-fluoroethyl(methyl)amino]-2-methylphenyl]-3-propylphenol
SMILESCCCc1cc(O)ccc1-c1ccc(N(C)CCF)cc1C
InChIInChI=1S/C19H24FNO/c1-4-5-15-13-17(22)7-9-19(15)18-8-6-16(12-14(18)2)21(3)11-10-20/h6-9,12-13,22H,4-5,10-11H2,1-3H3
InChIKeyVXNWCGKSVMWIBE-UHFFFAOYSA-N
XLogP4.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-fluoroethyl(methyl)amino]-2-methylphenyl]-3-propylphenol?
The IUPAC name of 4-[4-[2-fluoroethyl(methyl)amino]-2-methylphenyl]-3-propylphenol (CID 166959330) is 4-[4-[2-fluoroethyl(methyl)amino]-2-methylphenyl]-3-propylphenol.
What is the SMILES notation for 4-[4-[2-fluoroethyl(methyl)amino]-2-methylphenyl]-3-propylphenol?
The canonical SMILES for 4-[4-[2-fluoroethyl(methyl)amino]-2-methylphenyl]-3-propylphenol is CCCc1cc(O)ccc1-c1ccc(N(C)CCF)cc1C.
What is the InChIKey of 4-[4-[2-fluoroethyl(methyl)amino]-2-methylphenyl]-3-propylphenol?
The InChIKey is VXNWCGKSVMWIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO/c1-4-5-15-13-17(22)7-9-19(15)18-8-6-16(12-14(18)2)21(3)11-10-20/h6-9,12-13,22H,4-5,10-11H2,1-3H3.
What are the key properties of 4-[4-[2-fluoroethyl(methyl)amino]-2-methylphenyl]-3-propylphenol?
4-[4-[2-fluoroethyl(methyl)amino]-2-methylphenyl]-3-propylphenol has a molecular weight of 301.41 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-fluoroethyl(methyl)amino]-2-methylphenyl]-3-propylphenol is sourced from PubChem (CID 166959330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).