ethane;3-[2-[3-fluoro-4-(4-methylphenoxy)phenyl]ethylamino]propan-1-ol

C20H28FNO2 — CID 156706690

IUPACethane;3-[2-[3-fluoro-4-(4-methylphenoxy)phenyl]ethylamino]propan-1-ol
SMILESCC.Cc1ccc(Oc2ccc(CCNCCCO)cc2F)cc1
InChIInChI=1S/C18H22FNO2.C2H6/c1-14-3-6-16(7-4-14)22-18-8-5-15(13-17(18)19)9-11-20-10-2-12-21;1-2/h3-8,13,20-21H,2,9-12H2,1H3;1-2H3
InChIKeyIHFNNNDGLYOWQG-UHFFFAOYSA-N
MW333.45 g/mol
LogP4.47
Rot. Bonds8

About ethane;3-[2-[3-fluoro-4-(4-methylphenoxy)phenyl]ethylamino]propan-1-ol

ethane;3-[2-[3-fluoro-4-(4-methylphenoxy)phenyl]ethylamino]propan-1-ol (PubChem CID 156706690) has the molecular formula C20H28FNO2 and a molecular weight of 333.45 g/mol. Its IUPAC name is ethane;3-[2-[3-fluoro-4-(4-methylphenoxy)phenyl]ethylamino]propan-1-ol.

Molecular Properties

Compound Nameethane;3-[2-[3-fluoro-4-(4-methylphenoxy)phenyl]ethylamino]propan-1-ol
PubChem CID156706690
Molecular FormulaC20H28FNO2
Molecular Weight333.45 g/mol
Exact Mass333.21
IUPAC Nameethane;3-[2-[3-fluoro-4-(4-methylphenoxy)phenyl]ethylamino]propan-1-ol
SMILESCC.Cc1ccc(Oc2ccc(CCNCCCO)cc2F)cc1
InChIInChI=1S/C18H22FNO2.C2H6/c1-14-3-6-16(7-4-14)22-18-8-5-15(13-17(18)19)9-11-20-10-2-12-21;1-2/h3-8,13,20-21H,2,9-12H2,1H3;1-2H3
InChIKeyIHFNNNDGLYOWQG-UHFFFAOYSA-N
XLogP4.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol
CID 94681852
4-[2-(4-methylphenyl)ethylamino]butan-1-ol
CID 115217735
2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol
CID 98014591
4-[2-(6-methylnaphthalen-2-yl)ethylamino]butan-1-ol
CID 115217835
3-[2-(3,4-diethoxyphenyl)ethylamino]propan-1-ol
CID 82097746
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195380
[4-[4-(ethylaminomethyl)-2-fluorophenoxy]phenyl]methanol
CID 61228377
3-[2-(3-fluoro-4-methoxyphenyl)ethylamino]propane-1-thiol
CID 115225090
2-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107171074
N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
CID 43283372
4-(bromomethyl)-1-(4-butylphenoxy)-2-fluorobenzene
CID 107089012
1-(4-ethylphenoxy)-2,4-difluorobenzene
CID 70811757

Frequently Asked Questions

What is the IUPAC name of ethane;3-[2-[3-fluoro-4-(4-methylphenoxy)phenyl]ethylamino]propan-1-ol?
The IUPAC name of ethane;3-[2-[3-fluoro-4-(4-methylphenoxy)phenyl]ethylamino]propan-1-ol (CID 156706690) is ethane;3-[2-[3-fluoro-4-(4-methylphenoxy)phenyl]ethylamino]propan-1-ol.
What is the SMILES notation for ethane;3-[2-[3-fluoro-4-(4-methylphenoxy)phenyl]ethylamino]propan-1-ol?
The canonical SMILES for ethane;3-[2-[3-fluoro-4-(4-methylphenoxy)phenyl]ethylamino]propan-1-ol is CC.Cc1ccc(Oc2ccc(CCNCCCO)cc2F)cc1.
What is the InChIKey of ethane;3-[2-[3-fluoro-4-(4-methylphenoxy)phenyl]ethylamino]propan-1-ol?
The InChIKey is IHFNNNDGLYOWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2.C2H6/c1-14-3-6-16(7-4-14)22-18-8-5-15(13-17(18)19)9-11-20-10-2-12-21;1-2/h3-8,13,20-21H,2,9-12H2,1H3;1-2H3.
What are the key properties of ethane;3-[2-[3-fluoro-4-(4-methylphenoxy)phenyl]ethylamino]propan-1-ol?
ethane;3-[2-[3-fluoro-4-(4-methylphenoxy)phenyl]ethylamino]propan-1-ol has a molecular weight of 333.45 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[2-[3-fluoro-4-(4-methylphenoxy)phenyl]ethylamino]propan-1-ol is sourced from PubChem (CID 156706690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).