1-(2-amino-4-fluorophenyl)-3-(methylamino)butan-1-ol

C11H17FN2O — CID 105465988

IUPAC1-(2-amino-4-fluorophenyl)-3-(methylamino)butan-1-ol
SMILESCNC(C)CC(O)c1ccc(F)cc1N
InChIInChI=1S/C11H17FN2O/c1-7(14-2)5-11(15)9-4-3-8(12)6-10(9)13/h3-4,6-7,11,14-15H,5,13H2,1-2H3
InChIKeyUEJBAQOMEPQCQA-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.44
Rot. Bonds4

About 1-(2-amino-4-fluorophenyl)-3-(methylamino)butan-1-ol

1-(2-amino-4-fluorophenyl)-3-(methylamino)butan-1-ol (PubChem CID 105465988) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-(2-amino-4-fluorophenyl)-3-(methylamino)butan-1-ol.

Molecular Properties

Compound Name1-(2-amino-4-fluorophenyl)-3-(methylamino)butan-1-ol
PubChem CID105465988
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name1-(2-amino-4-fluorophenyl)-3-(methylamino)butan-1-ol
SMILESCNC(C)CC(O)c1ccc(F)cc1N
InChIInChI=1S/C11H17FN2O/c1-7(14-2)5-11(15)9-4-3-8(12)6-10(9)13/h3-4,6-7,11,14-15H,5,13H2,1-2H3
InChIKeyUEJBAQOMEPQCQA-UHFFFAOYSA-N
XLogP1.44
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol
CID 82685546
(1S)-1-amino-1-(2-amino-4-fluorophenyl)propan-2-ol
CID 130707231
4-(2,5-difluorophenyl)-N-methylpentan-2-amine
CID 64720969
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910
1-(2-amino-4-fluorophenyl)-2,2-dimethylpropan-1-ol
CID 105450766
ethyl 3-(2-amino-4-fluorophenyl)-2,3-dihydroxypropanoate
CID 171865814
1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
1-(2-amino-4-fluorophenyl)-4-sulfanylbutane-1,2-diol
CID 171873797
(2-amino-4-fluorophenyl)-(2-methylphenyl)methanol
CID 105489352
(1S,3S)-3-amino-1-(2,4-difluorophenyl)-4,4-dimethylpentan-1-ol
CID 171237054
S-[3-(2-amino-4-fluorophenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170821639
1-(2,4-difluorophenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949729

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-fluorophenyl)-3-(methylamino)butan-1-ol?
The IUPAC name of 1-(2-amino-4-fluorophenyl)-3-(methylamino)butan-1-ol (CID 105465988) is 1-(2-amino-4-fluorophenyl)-3-(methylamino)butan-1-ol.
What is the SMILES notation for 1-(2-amino-4-fluorophenyl)-3-(methylamino)butan-1-ol?
The canonical SMILES for 1-(2-amino-4-fluorophenyl)-3-(methylamino)butan-1-ol is CNC(C)CC(O)c1ccc(F)cc1N.
What is the InChIKey of 1-(2-amino-4-fluorophenyl)-3-(methylamino)butan-1-ol?
The InChIKey is UEJBAQOMEPQCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-7(14-2)5-11(15)9-4-3-8(12)6-10(9)13/h3-4,6-7,11,14-15H,5,13H2,1-2H3.
What are the key properties of 1-(2-amino-4-fluorophenyl)-3-(methylamino)butan-1-ol?
1-(2-amino-4-fluorophenyl)-3-(methylamino)butan-1-ol has a molecular weight of 212.27 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-fluorophenyl)-3-(methylamino)butan-1-ol is sourced from PubChem (CID 105465988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).