1-(4-bromo-2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine

C15H14BrClN2O2 — CID 61063781

IUPAC1-(4-bromo-2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
SMILESCNC(Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H14BrClN2O2/c1-18-15(13-7-4-11(16)9-14(13)17)8-10-2-5-12(6-3-10)19(20)21/h2-7,9,15,18H,8H2,1H3
InChIKeyFMNDAWYDMBJJGC-UHFFFAOYSA-N
MW369.65 g/mol
LogP4.51
Rot. Bonds5

About 1-(4-bromo-2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine

1-(4-bromo-2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine (PubChem CID 61063781) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
PubChem CID61063781
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
SMILESCNC(Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H14BrClN2O2/c1-18-15(13-7-4-11(16)9-14(13)17)8-10-2-5-12(6-3-10)19(20)21/h2-7,9,15,18H,8H2,1H3
InChIKeyFMNDAWYDMBJJGC-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

4-bromo-1-[1-bromo-2-(4-nitrophenyl)ethyl]-2-chlorobenzene
CID 63544495
1-(2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064826
1-(4-bromo-2-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 82775829
1-(2-bromophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064825
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107892172
1-(4-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064293
1-(3-chloro-4-fluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 82876788
1-(3-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064647
1-(2,5-difluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61063783
2,4-dibromo-1-[1-bromo-2-(4-nitrophenyl)ethyl]benzene
CID 107958028
1-(4-bromo-2-chlorophenyl)-2-(2-bromophenyl)-N-methylethanamine
CID 115786767
1-(5-bromo-2-chlorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 63527047

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine (CID 61063781) is 1-(4-bromo-2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine is CNC(Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine?
The InChIKey is FMNDAWYDMBJJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c1-18-15(13-7-4-11(16)9-14(13)17)8-10-2-5-12(6-3-10)19(20)21/h2-7,9,15,18H,8H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine?
1-(4-bromo-2-chlorophenyl)-N-methyl-2-(4-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-(4-bromo-2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine is sourced from PubChem (CID 61063781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).