1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol

C14H22FNO2 — CID 83944097

IUPAC1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol
SMILESCCOc1ccc(F)cc1C(CC)CC(O)CN
InChIInChI=1S/C14H22FNO2/c1-3-10(7-12(17)9-16)13-8-11(15)5-6-14(13)18-4-2/h5-6,8,10,12,17H,3-4,7,9,16H2,1-2H3
InChIKeyLGCYWVIUSIUYKN-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.43
Rot. Bonds7

About 1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol

1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol (PubChem CID 83944097) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol.

Molecular Properties

Compound Name1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol
PubChem CID83944097
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol
SMILESCCOc1ccc(F)cc1C(CC)CC(O)CN
InChIInChI=1S/C14H22FNO2/c1-3-10(7-12(17)9-16)13-8-11(15)5-6-14(13)18-4-2/h5-6,8,10,12,17H,3-4,7,9,16H2,1-2H3
InChIKeyLGCYWVIUSIUYKN-UHFFFAOYSA-N
XLogP2.43
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol
CID 83933716
1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol
CID 83933326
1-amino-4-(5-fluoro-2-propoxyphenyl)pentan-2-ol
CID 83944229
5-(2-ethoxy-5-fluorophenyl)heptan-2-amine
CID 83944051
1-amino-4-(4-fluorophenyl)hexan-2-ol
CID 83930990
2-(2-ethoxy-5-fluorophenyl)-3-(4-ethoxyphenyl)propan-1-amine
CID 83974772
2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83974769
1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol
CID 83923626
1-amino-4-(2-fluoro-4,5-dimethylphenyl)hexan-2-ol
CID 83931690
3-(2-ethoxy-5-fluorophenyl)-2,3-dihydroxypropanamide
CID 171868483
5-(5-fluoro-2-propoxyphenyl)heptan-2-amine
CID 83944184
2-(aminomethyl)-4-(2,5-diethoxyphenyl)hexan-1-ol
CID 83942792

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol?
The IUPAC name of 1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol (CID 83944097) is 1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol.
What is the SMILES notation for 1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol?
The canonical SMILES for 1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol is CCOc1ccc(F)cc1C(CC)CC(O)CN.
What is the InChIKey of 1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol?
The InChIKey is LGCYWVIUSIUYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-3-10(7-12(17)9-16)13-8-11(15)5-6-14(13)18-4-2/h5-6,8,10,12,17H,3-4,7,9,16H2,1-2H3.
What are the key properties of 1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol?
1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol has a molecular weight of 255.33 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol is sourced from PubChem (CID 83944097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).