2-amino-4-(dimethylamino)-1-(5-fluoro-2-methoxyphenyl)butan-1-ol

C13H21FN2O2 — CID 83943899

IUPAC2-amino-4-(dimethylamino)-1-(5-fluoro-2-methoxyphenyl)butan-1-ol
SMILESCOc1ccc(F)cc1C(O)C(N)CCN(C)C
InChIInChI=1S/C13H21FN2O2/c1-16(2)7-6-11(15)13(17)10-8-9(14)4-5-12(10)18-3/h4-5,8,11,13,17H,6-7,15H2,1-3H3
InChIKeyUXSROWNVYCIIGZ-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.15
Rot. Bonds6

About 2-amino-4-(dimethylamino)-1-(5-fluoro-2-methoxyphenyl)butan-1-ol

2-amino-4-(dimethylamino)-1-(5-fluoro-2-methoxyphenyl)butan-1-ol (PubChem CID 83943899) has the molecular formula C13H21FN2O2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-amino-4-(dimethylamino)-1-(5-fluoro-2-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-4-(dimethylamino)-1-(5-fluoro-2-methoxyphenyl)butan-1-ol
PubChem CID83943899
Molecular FormulaC13H21FN2O2
Molecular Weight256.32 g/mol
Exact Mass256.16
IUPAC Name2-amino-4-(dimethylamino)-1-(5-fluoro-2-methoxyphenyl)butan-1-ol
SMILESCOc1ccc(F)cc1C(O)C(N)CCN(C)C
InChIInChI=1S/C13H21FN2O2/c1-16(2)7-6-11(15)13(17)10-8-9(14)4-5-12(10)18-3/h4-5,8,11,13,17H,6-7,15H2,1-3H3
InChIKeyUXSROWNVYCIIGZ-UHFFFAOYSA-N
XLogP1.15
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(dimethylamino)-1-(2-ethoxy-5-fluorophenyl)butan-1-ol
CID 83944016
1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 82769952
3-bromo-1-(5-fluoro-2-methoxyphenyl)propane-1,2-diol
CID 171859876
2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 164892130
1-(5-fluoro-2-methoxyphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine
CID 82770289
(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 96620692
(1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 171224945
(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 131150420
(1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)pentan-2-ol;hydrochloride
CID 171262540
(1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-ol
CID 171262543
2-amino-1-(5-fluoro-2-propoxyphenyl)butane-1,4-diol
CID 83944144
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(dimethylamino)-1-(5-fluoro-2-methoxyphenyl)butan-1-ol?
The IUPAC name of 2-amino-4-(dimethylamino)-1-(5-fluoro-2-methoxyphenyl)butan-1-ol (CID 83943899) is 2-amino-4-(dimethylamino)-1-(5-fluoro-2-methoxyphenyl)butan-1-ol.
What is the SMILES notation for 2-amino-4-(dimethylamino)-1-(5-fluoro-2-methoxyphenyl)butan-1-ol?
The canonical SMILES for 2-amino-4-(dimethylamino)-1-(5-fluoro-2-methoxyphenyl)butan-1-ol is COc1ccc(F)cc1C(O)C(N)CCN(C)C.
What is the InChIKey of 2-amino-4-(dimethylamino)-1-(5-fluoro-2-methoxyphenyl)butan-1-ol?
The InChIKey is UXSROWNVYCIIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2/c1-16(2)7-6-11(15)13(17)10-8-9(14)4-5-12(10)18-3/h4-5,8,11,13,17H,6-7,15H2,1-3H3.
What are the key properties of 2-amino-4-(dimethylamino)-1-(5-fluoro-2-methoxyphenyl)butan-1-ol?
2-amino-4-(dimethylamino)-1-(5-fluoro-2-methoxyphenyl)butan-1-ol has a molecular weight of 256.32 g/mol, XLogP of 1.15, 6 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-(5-fluoro-2-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 83943899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).