4-bromo-2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline

C12H15BrCl2N2O — CID 107789141

IUPAC4-bromo-2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline
SMILESClc1c(Br)ccc(NCCN2CCOCC2)c1Cl
InChIInChI=1S/C12H15BrCl2N2O/c13-9-1-2-10(12(15)11(9)14)16-3-4-17-5-7-18-8-6-17/h1-2,16H,3-8H2
InChIKeyHEGTTWFRQHXRTE-UHFFFAOYSA-N
MW354.08 g/mol
LogP3.50
Rot. Bonds4

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

4-bromo-2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline (PubChem CID 107789141) has the molecular formula C12H15BrCl2N2O and a molecular weight of 354.08 g/mol. Its IUPAC name is 4-bromo-2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound Name4-bromo-2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline
PubChem CID107789141
Molecular FormulaC12H15BrCl2N2O
Molecular Weight354.08 g/mol
Exact Mass351.97
IUPAC Name4-bromo-2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline
SMILESClc1c(Br)ccc(NCCN2CCOCC2)c1Cl
InChIInChI=1S/C12H15BrCl2N2O/c13-9-1-2-10(12(15)11(9)14)16-3-4-17-5-7-18-8-6-17/h1-2,16H,3-8H2
InChIKeyHEGTTWFRQHXRTE-UHFFFAOYSA-N
XLogP3.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.08
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline
CID 28774944
4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 60679405
2-chloro-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine
CID 28904413
4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 65437336
3-bromo-4-(2-morpholin-4-ylethylamino)benzenecarbothioamide
CID 82803789
4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807
2-bromo-3-fluoro-4-(2-morpholin-4-ylethylamino)benzoic acid
CID 107539944
3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 39420305
2,4,5-trimethyl-N-(2-morpholin-4-ylethyl)aniline
CID 82498851
3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28568493
4-bromo-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
CID 43348214
7-bromo-3-(2-morpholin-4-ylethylamino)pyrido[1,2-a]pyrimidin-4-one
CID 118613302

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of 4-bromo-2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline (CID 107789141) is 4-bromo-2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for 4-bromo-2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for 4-bromo-2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline is Clc1c(Br)ccc(NCCN2CCOCC2)c1Cl.
What is the InChIKey of 4-bromo-2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline?
The InChIKey is HEGTTWFRQHXRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrCl2N2O/c13-9-1-2-10(12(15)11(9)14)16-3-4-17-5-7-18-8-6-17/h1-2,16H,3-8H2.
What are the key properties of 4-bromo-2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline?
4-bromo-2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline has a molecular weight of 354.08 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 107789141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).