1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine

C15H14BrClN2O2 — CID 107955239

IUPAC1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
SMILESCNC(Cc1ccccc1[N+](=O)[O-])c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H14BrClN2O2/c1-18-14(11-6-12(16)9-13(17)7-11)8-10-4-2-3-5-15(10)19(20)21/h2-7,9,14,18H,8H2,1H3
InChIKeyKIIQPELLIUGAPR-UHFFFAOYSA-N
MW369.65 g/mol
LogP4.51
Rot. Bonds5

About 1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine

1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine (PubChem CID 107955239) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
PubChem CID107955239
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
SMILESCNC(Cc1ccccc1[N+](=O)[O-])c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H14BrClN2O2/c1-18-14(11-6-12(16)9-13(17)7-11)8-10-4-2-3-5-15(10)19(20)21/h2-7,9,14,18H,8H2,1H3
InChIKeyKIIQPELLIUGAPR-UHFFFAOYSA-N
XLogP4.51
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-5-chlorophenyl)-2-(2-nitrophenyl)ethanamine
CID 107955229
1-(3-bromo-5-chlorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 107945139
N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride
CID 12915154
1-(3-chloro-4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 103222354
N-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine
CID 61078233
1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61078222
1-(2-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 12909659
N-methyl-1-(4-methylsulfanylphenyl)-2-(2-nitrophenyl)ethanamine
CID 79213455
1-(3-bromo-5-chlorophenyl)-2-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 107946978
1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 106687794
1-(2,3-dichlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61080227
1-(3,5-dichlorophenyl)-2-(2-nitrophenyl)ethanol
CID 63017856

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine (CID 107955239) is 1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine is CNC(Cc1ccccc1[N+](=O)[O-])c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine?
The InChIKey is KIIQPELLIUGAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c1-18-14(11-6-12(16)9-13(17)7-11)8-10-4-2-3-5-15(10)19(20)21/h2-7,9,14,18H,8H2,1H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine?
1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine has a molecular weight of 369.65 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine is sourced from PubChem (CID 107955239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).