5-fluoro-2-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]phenol

C15H18FNO2 — CID 63064633

IUPAC5-fluoro-2-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]phenol
SMILESCc1ccc(C(C)NC(C)c2ccc(F)cc2O)o1
InChIInChI=1S/C15H18FNO2/c1-9-4-7-15(19-9)11(3)17-10(2)13-6-5-12(16)8-14(13)18/h4-8,10-11,17-18H,1-3H3
InChIKeyISKYKSABEYUGNO-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.84
Rot. Bonds4

About 5-fluoro-2-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]phenol

5-fluoro-2-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]phenol (PubChem CID 63064633) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 5-fluoro-2-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]phenol
PubChem CID63064633
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name5-fluoro-2-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]phenol
SMILESCc1ccc(C(C)NC(C)c2ccc(F)cc2O)o1
InChIInChI=1S/C15H18FNO2/c1-9-4-7-15(19-9)11(3)17-10(2)13-6-5-12(16)8-14(13)18/h4-8,10-11,17-18H,1-3H3
InChIKeyISKYKSABEYUGNO-UHFFFAOYSA-N
XLogP3.84
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43674237
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43728739
5-fluoro-2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol
CID 81350079
5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol
CID 55148602
5-fluoro-2-[1-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol
CID 81367660
5-fluoro-2-[1-(1-hydroxypropan-2-ylamino)ethyl]phenol
CID 63066726
2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol
CID 63065853
5-fluoro-2-[1-(pentan-2-ylamino)ethyl]phenol
CID 63066523
5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol
CID 63064953
1-(5-fluoro-2-pyridinyl)-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine
CID 83117358
5-fluoro-2-[1-(2,2,2-trifluoroethylamino)ethyl]phenol
CID 63064753
2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]-5-fluorophenol
CID 79091005

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]phenol (CID 63064633) is 5-fluoro-2-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]phenol is Cc1ccc(C(C)NC(C)c2ccc(F)cc2O)o1.
What is the InChIKey of 5-fluoro-2-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]phenol?
The InChIKey is ISKYKSABEYUGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-9-4-7-15(19-9)11(3)17-10(2)13-6-5-12(16)8-14(13)18/h4-8,10-11,17-18H,1-3H3.
What are the key properties of 5-fluoro-2-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]phenol?
5-fluoro-2-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]phenol has a molecular weight of 263.31 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]phenol is sourced from PubChem (CID 63064633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).