2-[2-(4-fluorophenyl)propylamino]-1-(3-methoxyphenyl)ethanol

C18H22FNO2 — CID 111382295

IUPAC2-[2-(4-fluorophenyl)propylamino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNCC(C)c2ccc(F)cc2)c1
InChIInChI=1S/C18H22FNO2/c1-13(14-6-8-16(19)9-7-14)11-20-12-18(21)15-4-3-5-17(10-15)22-2/h3-10,13,18,20-21H,11-12H2,1-2H3
InChIKeyJNXCQAMTCSDVJU-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.26
Rot. Bonds7

About 2-[2-(4-fluorophenyl)propylamino]-1-(3-methoxyphenyl)ethanol

2-[2-(4-fluorophenyl)propylamino]-1-(3-methoxyphenyl)ethanol (PubChem CID 111382295) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)propylamino]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)propylamino]-1-(3-methoxyphenyl)ethanol
PubChem CID111382295
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name2-[2-(4-fluorophenyl)propylamino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNCC(C)c2ccc(F)cc2)c1
InChIInChI=1S/C18H22FNO2/c1-13(14-6-8-16(19)9-7-14)11-20-12-18(21)15-4-3-5-17(10-15)22-2/h3-10,13,18,20-21H,11-12H2,1-2H3
InChIKeyJNXCQAMTCSDVJU-UHFFFAOYSA-N
XLogP3.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577350
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 78967042
1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 78966811
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
CID 114616947
1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115589638
1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol
CID 78966982
1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 113450094
2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 81134737
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol
CID 106246707
2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134030
3-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
CID 110663372

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)propylamino]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[2-(4-fluorophenyl)propylamino]-1-(3-methoxyphenyl)ethanol (CID 111382295) is 2-[2-(4-fluorophenyl)propylamino]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[2-(4-fluorophenyl)propylamino]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[2-(4-fluorophenyl)propylamino]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CNCC(C)c2ccc(F)cc2)c1.
What is the InChIKey of 2-[2-(4-fluorophenyl)propylamino]-1-(3-methoxyphenyl)ethanol?
The InChIKey is JNXCQAMTCSDVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-13(14-6-8-16(19)9-7-14)11-20-12-18(21)15-4-3-5-17(10-15)22-2/h3-10,13,18,20-21H,11-12H2,1-2H3.
What are the key properties of 2-[2-(4-fluorophenyl)propylamino]-1-(3-methoxyphenyl)ethanol?
2-[2-(4-fluorophenyl)propylamino]-1-(3-methoxyphenyl)ethanol has a molecular weight of 303.38 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)propylamino]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 111382295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).