2-amino-4-(dimethylamino)-1-(2-ethoxy-5-fluorophenyl)butan-1-ol

C14H23FN2O2 — CID 83944016

IUPAC2-amino-4-(dimethylamino)-1-(2-ethoxy-5-fluorophenyl)butan-1-ol
SMILESCCOc1ccc(F)cc1C(O)C(N)CCN(C)C
InChIInChI=1S/C14H23FN2O2/c1-4-19-13-6-5-10(15)9-11(13)14(18)12(16)7-8-17(2)3/h5-6,9,12,14,18H,4,7-8,16H2,1-3H3
InChIKeyIRBOPOPOMUPZEA-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.54
Rot. Bonds7

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

2-amino-4-(dimethylamino)-1-(2-ethoxy-5-fluorophenyl)butan-1-ol (PubChem CID 83944016) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-amino-4-(dimethylamino)-1-(2-ethoxy-5-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-4-(dimethylamino)-1-(2-ethoxy-5-fluorophenyl)butan-1-ol
PubChem CID83944016
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name2-amino-4-(dimethylamino)-1-(2-ethoxy-5-fluorophenyl)butan-1-ol
SMILESCCOc1ccc(F)cc1C(O)C(N)CCN(C)C
InChIInChI=1S/C14H23FN2O2/c1-4-19-13-6-5-10(15)9-11(13)14(18)12(16)7-8-17(2)3/h5-6,9,12,14,18H,4,7-8,16H2,1-3H3
InChIKeyIRBOPOPOMUPZEA-UHFFFAOYSA-N
XLogP1.54
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(dimethylamino)-1-(5-fluoro-2-methoxyphenyl)butan-1-ol
CID 83943899
2-amino-1-(5-chloro-2-ethoxy-4-methylphenyl)-4-(dimethylamino)butan-1-ol
CID 83937610
2-amino-1-(5-fluoro-2-propoxyphenyl)butane-1,4-diol
CID 83944144
1-(2-ethoxy-5-fluorophenyl)butane-1,2,4-triol
CID 171872620
3-(2-ethoxy-5-fluorophenyl)-2,3-dihydroxypropanamide
CID 171868483
2-amino-4-(dimethylamino)-1-(2,3-dimethyl-4-propoxyphenyl)butan-1-ol
CID 83939948
1-[2-[3-(dimethylamino)propoxy]-5-fluorophenyl]ethanol
CID 114525691
2-amino-1-(3-chloro-6-ethoxy-2,4-dimethylphenyl)-4-(dimethylamino)butan-1-ol
CID 83937865
ethyl (2S)-2-(2-ethoxy-5-fluorophenyl)-2-hydroxyethanimidate
CID 92975441
4-azido-1-(2-ethoxy-5-fluorophenyl)butane-1,2-diol
CID 171879785
5-(2-ethoxy-5-fluorophenyl)heptan-2-amine
CID 83944051
1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol
CID 83810140

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(dimethylamino)-1-(2-ethoxy-5-fluorophenyl)butan-1-ol?
The IUPAC name of 2-amino-4-(dimethylamino)-1-(2-ethoxy-5-fluorophenyl)butan-1-ol (CID 83944016) is 2-amino-4-(dimethylamino)-1-(2-ethoxy-5-fluorophenyl)butan-1-ol.
What is the SMILES notation for 2-amino-4-(dimethylamino)-1-(2-ethoxy-5-fluorophenyl)butan-1-ol?
The canonical SMILES for 2-amino-4-(dimethylamino)-1-(2-ethoxy-5-fluorophenyl)butan-1-ol is CCOc1ccc(F)cc1C(O)C(N)CCN(C)C.
What is the InChIKey of 2-amino-4-(dimethylamino)-1-(2-ethoxy-5-fluorophenyl)butan-1-ol?
The InChIKey is IRBOPOPOMUPZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-4-19-13-6-5-10(15)9-11(13)14(18)12(16)7-8-17(2)3/h5-6,9,12,14,18H,4,7-8,16H2,1-3H3.
What are the key properties of 2-amino-4-(dimethylamino)-1-(2-ethoxy-5-fluorophenyl)butan-1-ol?
2-amino-4-(dimethylamino)-1-(2-ethoxy-5-fluorophenyl)butan-1-ol has a molecular weight of 270.35 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(dimethylamino)-1-(2-ethoxy-5-fluorophenyl)butan-1-ol is sourced from PubChem (CID 83944016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).