(3-amino-4-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

C14H19BrN2O3 — CID 114776065

IUPAC(3-amino-4-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2ccc(Br)c(N)c2)CC(CO)O1
InChIInChI=1S/C14H19BrN2O3/c1-14(2)8-17(6-10(7-18)20-14)13(19)9-3-4-11(15)12(16)5-9/h3-5,10,18H,6-8,16H2,1-2H3
InChIKeySHHSAKYSBYGHPS-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.64
Rot. Bonds2

About (3-amino-4-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

(3-amino-4-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (PubChem CID 114776065) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is (3-amino-4-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-amino-4-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
PubChem CID114776065
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name(3-amino-4-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2ccc(Br)c(N)c2)CC(CO)O1
InChIInChI=1S/C14H19BrN2O3/c1-14(2)8-17(6-10(7-18)20-14)13(19)9-3-4-11(15)12(16)5-9/h3-5,10,18H,6-8,16H2,1-2H3
InChIKeySHHSAKYSBYGHPS-UHFFFAOYSA-N
XLogP1.64
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-amino-4-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-Amino-2-bromo-4-fluorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 55118144
3-amino-4-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61115013
(5-Amino-2-bromo-4-fluorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 62814378
5-amino-2-bromo-4-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 62814396
(5-Amino-2-bromo-4-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 62814552
(5-Amino-2-bromo-4-fluorophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62814753
(5-Amino-2,4-difluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81205470
(3-Amino-4-fluorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205543
(5-Amino-2-fluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81205547
(5-Amino-2,4-difluorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205691
(5-Amino-2-fluorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205764
(5-Amino-2-bromo-4-fluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81205770

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (3-amino-4-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (CID 114776065) is (3-amino-4-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (3-amino-4-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (3-amino-4-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is CC1(C)CN(C(=O)c2ccc(Br)c(N)c2)CC(CO)O1.
What is the InChIKey of (3-amino-4-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The InChIKey is SHHSAKYSBYGHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-14(2)8-17(6-10(7-18)20-14)13(19)9-3-4-11(15)12(16)5-9/h3-5,10,18H,6-8,16H2,1-2H3.
What are the key properties of (3-amino-4-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
(3-amino-4-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone has a molecular weight of 343.22 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 114776065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).