N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-bromophenyl)ethanamine

C15H14Br2N2O2 — CID 43426714

IUPACN-[(4-bromo-3-nitrophenyl)methyl]-1-(3-bromophenyl)ethanamine
SMILESCC(NCc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(Br)c1
InChIInChI=1S/C15H14Br2N2O2/c1-10(12-3-2-4-13(16)8-12)18-9-11-5-6-14(17)15(7-11)19(20)21/h2-8,10,18H,9H2,1H3
InChIKeySIZKGRDJUWBAMK-UHFFFAOYSA-N
MW414.10 g/mol
LogP4.97
Rot. Bonds5

About N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-bromophenyl)ethanamine

N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-bromophenyl)ethanamine (PubChem CID 43426714) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-bromophenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-nitrophenyl)methyl]-1-(3-bromophenyl)ethanamine
PubChem CID43426714
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC NameN-[(4-bromo-3-nitrophenyl)methyl]-1-(3-bromophenyl)ethanamine
SMILESCC(NCc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(Br)c1
InChIInChI=1S/C15H14Br2N2O2/c1-10(12-3-2-4-13(16)8-12)18-9-11-5-6-14(17)15(7-11)19(20)21/h2-8,10,18H,9H2,1H3
InChIKeySIZKGRDJUWBAMK-UHFFFAOYSA-N
XLogP4.97
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 54.97
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

(1R)-1-(3-bromophenyl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 81371840
N-[(4-bromo-3-nitrophenyl)methyl]-3-methylbutan-2-amine
CID 43223292
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine
CID 81437241
1-(3-fluorophenyl)-N-[(4-methyl-3-nitrophenyl)methyl]ethanamine
CID 43223840
4-[[1-(3-bromophenyl)ethylamino]methyl]benzenesulfonamide
CID 43096431
(1R)-N-[(4-chloro-3-nitrophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 115558198
(1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 81382162
N-[(4-bromo-3-nitrophenyl)methyl]pentan-2-amine
CID 43223072
N-[(4-bromo-3-nitrophenyl)methyl]-2-phenylpropan-1-amine
CID 43223332
1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine
CID 43426655
N-[(3-bromo-4-chlorophenyl)methyl]-1-(3-nitrophenyl)ethanamine
CID 83232262
4-[[[(1R)-1-(3-bromophenyl)ethyl]amino]methyl]phenol
CID 81381238

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-bromophenyl)ethanamine?
The IUPAC name of N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-bromophenyl)ethanamine (CID 43426714) is N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-bromophenyl)ethanamine.
What is the SMILES notation for N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-bromophenyl)ethanamine?
The canonical SMILES for N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-bromophenyl)ethanamine is CC(NCc1ccc(Br)c([N+](=O)[O-])c1)c1cccc(Br)c1.
What is the InChIKey of N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-bromophenyl)ethanamine?
The InChIKey is SIZKGRDJUWBAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c1-10(12-3-2-4-13(16)8-12)18-9-11-5-6-14(17)15(7-11)19(20)21/h2-8,10,18H,9H2,1H3.
What are the key properties of N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-bromophenyl)ethanamine?
N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-bromophenyl)ethanamine has a molecular weight of 414.10 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-nitrophenyl)methyl]-1-(3-bromophenyl)ethanamine is sourced from PubChem (CID 43426714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).