3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline

C13H19BrN2O — CID 39420305

IUPAC3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline
SMILESCc1ccc(NCCN2CCOCC2)cc1Br
InChIInChI=1S/C13H19BrN2O/c1-11-2-3-12(10-13(11)14)15-4-5-16-6-8-17-9-7-16/h2-3,10,15H,4-9H2,1H3
InChIKeyXHFQCNSUZQRFPM-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.50
Rot. Bonds4

About 3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline

3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline (PubChem CID 39420305) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline
PubChem CID39420305
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline
SMILESCc1ccc(NCCN2CCOCC2)cc1Br
InChIInChI=1S/C13H19BrN2O/c1-11-2-3-12(10-13(11)14)15-4-5-16-6-8-17-9-7-16/h2-3,10,15H,4-9H2,1H3
InChIKeyXHFQCNSUZQRFPM-UHFFFAOYSA-N
XLogP2.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline 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

3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28568493
3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28583324
4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 65437336
1-(3-bromo-4-methylanilino)-3-morpholin-4-ylpropan-2-ol
CID 63333868
2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid
CID 81282507
2-[(3-bromo-4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110305506
4-bromo-3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889277
N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride
CID 90485324
3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline
CID 20619663
4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807
5-bromo-4-methyl-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 113340018
4-(3-bromo-4-methylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile
CID 69315031

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of 3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline (CID 39420305) is 3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for 3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for 3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline is Cc1ccc(NCCN2CCOCC2)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline?
The InChIKey is XHFQCNSUZQRFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-11-2-3-12(10-13(11)14)15-4-5-16-6-8-17-9-7-16/h2-3,10,15H,4-9H2,1H3.
What are the key properties of 3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline?
3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline has a molecular weight of 299.21 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 39420305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).