1-(3-amino-4-fluorophenyl)-2-morpholin-4-ylethanol

C12H17FN2O2 — CID 82477275

IUPAC1-(3-amino-4-fluorophenyl)-2-morpholin-4-ylethanol
SMILESNc1cc(C(O)CN2CCOCC2)ccc1F
InChIInChI=1S/C12H17FN2O2/c13-10-2-1-9(7-11(10)14)12(16)8-15-3-5-17-6-4-15/h1-2,7,12,16H,3-6,8,14H2
InChIKeyVQNDZTGDOAAXJH-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.77
Rot. Bonds3

About 1-(3-amino-4-fluorophenyl)-2-morpholin-4-ylethanol

1-(3-amino-4-fluorophenyl)-2-morpholin-4-ylethanol (PubChem CID 82477275) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-(3-amino-4-fluorophenyl)-2-morpholin-4-ylethanol.

Molecular Properties

Compound Name1-(3-amino-4-fluorophenyl)-2-morpholin-4-ylethanol
PubChem CID82477275
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name1-(3-amino-4-fluorophenyl)-2-morpholin-4-ylethanol
SMILESNc1cc(C(O)CN2CCOCC2)ccc1F
InChIInChI=1S/C12H17FN2O2/c13-10-2-1-9(7-11(10)14)12(16)8-15-3-5-17-6-4-15/h1-2,7,12,16H,3-6,8,14H2
InChIKeyVQNDZTGDOAAXJH-UHFFFAOYSA-N
XLogP0.77
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809
1-[7-(1-hydroxy-2-morpholin-4-ylethyl)-9H-xanthen-2-yl]-2-morpholin-4-ylethanol
CID 515405
5-(1-hydroxy-2-morpholin-4-ylethyl)benzene-1,3-diol
CID 12556410
4-(1-hydroxy-2-morpholin-4-ylethyl)benzonitrile
CID 43288546
1-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)ethanol
CID 82487771
[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]thiourea
CID 169357188
(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322241
1-[3,5-bis(trifluoromethyl)phenyl]-2-morpholin-4-ylethanol;fluorobenzene
CID 142102319
(1R)-1-(4-cyclopentylphenyl)-2-morpholin-4-ylethanol
CID 1229946
1-(4-cyclopentylphenyl)-2-morpholin-4-ylethanol
CID 3070078
(1S)-2-morpholin-4-yl-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol
CID 126444747

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-fluorophenyl)-2-morpholin-4-ylethanol?
The IUPAC name of 1-(3-amino-4-fluorophenyl)-2-morpholin-4-ylethanol (CID 82477275) is 1-(3-amino-4-fluorophenyl)-2-morpholin-4-ylethanol.
What is the SMILES notation for 1-(3-amino-4-fluorophenyl)-2-morpholin-4-ylethanol?
The canonical SMILES for 1-(3-amino-4-fluorophenyl)-2-morpholin-4-ylethanol is Nc1cc(C(O)CN2CCOCC2)ccc1F.
What is the InChIKey of 1-(3-amino-4-fluorophenyl)-2-morpholin-4-ylethanol?
The InChIKey is VQNDZTGDOAAXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c13-10-2-1-9(7-11(10)14)12(16)8-15-3-5-17-6-4-15/h1-2,7,12,16H,3-6,8,14H2.
What are the key properties of 1-(3-amino-4-fluorophenyl)-2-morpholin-4-ylethanol?
1-(3-amino-4-fluorophenyl)-2-morpholin-4-ylethanol has a molecular weight of 240.28 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-fluorophenyl)-2-morpholin-4-ylethanol is sourced from PubChem (CID 82477275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).