[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-4-methoxyphenyl)methanone

C14H19BrN2O3 — CID 81484800

IUPAC[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCOC(C(C)N)C2)cc1Br
InChIInChI=1S/C14H19BrN2O3/c1-9(16)13-8-17(5-6-20-13)14(18)10-3-4-12(19-2)11(15)7-10/h3-4,7,9,13H,5-6,8,16H2,1-2H3
InChIKeyNRZDFLCQYWZLQJ-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.65
Rot. Bonds3

About [2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-4-methoxyphenyl)methanone

[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-4-methoxyphenyl)methanone (PubChem CID 81484800) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is [2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-4-methoxyphenyl)methanone
PubChem CID81484800
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCOC(C(C)N)C2)cc1Br
InChIInChI=1S/C14H19BrN2O3/c1-9(16)13-8-17(5-6-20-13)14(18)10-3-4-12(19-2)11(15)7-10/h3-4,7,9,13H,5-6,8,16H2,1-2H3
InChIKeyNRZDFLCQYWZLQJ-UHFFFAOYSA-N
XLogP1.65
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-4-methoxyphenyl)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

[2-(1-aminoethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 81484356
[2-(1-aminoethyl)morpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 81484012
[2-(1-aminoethyl)morpholin-4-yl]-naphthalen-2-ylmethanone
CID 81485463
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-methoxyphenyl)methanone
CID 81484079
[2-(1-aminoethyl)morpholin-4-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 81484092
(3-bromo-4-methoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61226218
[2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone
CID 81484348
4-(3-fluoro-4-methoxybenzoyl)morpholine-2-carbothioamide
CID 79675182
[2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 81484704
1-[4-(3-bromo-4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 51218725
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-5-chlorophenyl)methanone
CID 107940173
[2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone
CID 81483994

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-4-methoxyphenyl)methanone?
The IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-4-methoxyphenyl)methanone (CID 81484800) is [2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-4-methoxyphenyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-4-methoxyphenyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCOC(C(C)N)C2)cc1Br.
What is the InChIKey of [2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-4-methoxyphenyl)methanone?
The InChIKey is NRZDFLCQYWZLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-9(16)13-8-17(5-6-20-13)14(18)10-3-4-12(19-2)11(15)7-10/h3-4,7,9,13H,5-6,8,16H2,1-2H3.
What are the key properties of [2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-4-methoxyphenyl)methanone?
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-4-methoxyphenyl)methanone has a molecular weight of 343.22 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-4-methoxyphenyl)methanone is sourced from PubChem (CID 81484800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).