[4-(4-amino-2-bromophenyl)morpholin-2-yl]methanol

C11H15BrN2O2 — CID 81205561

IUPAC[4-(4-amino-2-bromophenyl)morpholin-2-yl]methanol
SMILESNc1ccc(N2CCOC(CO)C2)c(Br)c1
InChIInChI=1S/C11H15BrN2O2/c12-10-5-8(13)1-2-11(10)14-3-4-16-9(6-14)7-15/h1-2,5,9,15H,3-4,6-7,13H2
InChIKeyLYKVLDIWDQTRPR-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.23
Rot. Bonds2

About [4-(4-amino-2-bromophenyl)morpholin-2-yl]methanol

[4-(4-amino-2-bromophenyl)morpholin-2-yl]methanol (PubChem CID 81205561) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is [4-(4-amino-2-bromophenyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-amino-2-bromophenyl)morpholin-2-yl]methanol
PubChem CID81205561
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name[4-(4-amino-2-bromophenyl)morpholin-2-yl]methanol
SMILESNc1ccc(N2CCOC(CO)C2)c(Br)c1
InChIInChI=1S/C11H15BrN2O2/c12-10-5-8(13)1-2-11(10)14-3-4-16-9(6-14)7-15/h1-2,5,9,15H,3-4,6-7,13H2
InChIKeyLYKVLDIWDQTRPR-UHFFFAOYSA-N
XLogP1.23
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol
CID 81205635
5-bromo-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]benzonitrile
CID 97350200
2-[2-(hydroxymethyl)morpholin-4-yl]-5-sulfamoylbenzoic acid
CID 81195386
4-amino-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]benzamide
CID 81205850
[4-(4-amino-3-methylphenyl)morpholin-2-yl]methanol
CID 81206062
2-[1-(4-amino-2-bromophenyl)pyrrolidin-3-yl]ethanol
CID 114796896
4-amino-3-[2-(hydroxymethyl)morpholin-4-yl]benzonitrile
CID 104712170
3-fluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide
CID 81219360
1-(4-amino-2-bromophenyl)pyrrolidin-3-ol
CID 62917357
1-[4-(2-bromo-4-methylphenyl)morpholin-2-yl]-N-methylmethanamine
CID 82308310
[4-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]morpholin-2-yl]methanol
CID 81204298
[(2S)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol
CID 162439692

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-2-bromophenyl)morpholin-2-yl]methanol?
The IUPAC name of [4-(4-amino-2-bromophenyl)morpholin-2-yl]methanol (CID 81205561) is [4-(4-amino-2-bromophenyl)morpholin-2-yl]methanol.
What is the SMILES notation for [4-(4-amino-2-bromophenyl)morpholin-2-yl]methanol?
The canonical SMILES for [4-(4-amino-2-bromophenyl)morpholin-2-yl]methanol is Nc1ccc(N2CCOC(CO)C2)c(Br)c1.
What is the InChIKey of [4-(4-amino-2-bromophenyl)morpholin-2-yl]methanol?
The InChIKey is LYKVLDIWDQTRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c12-10-5-8(13)1-2-11(10)14-3-4-16-9(6-14)7-15/h1-2,5,9,15H,3-4,6-7,13H2.
What are the key properties of [4-(4-amino-2-bromophenyl)morpholin-2-yl]methanol?
[4-(4-amino-2-bromophenyl)morpholin-2-yl]methanol has a molecular weight of 287.16 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-2-bromophenyl)morpholin-2-yl]methanol is sourced from PubChem (CID 81205561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).