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

C14H12Br2N2O2 — CID 60781321

IUPACN-[(4-bromo-3-nitrophenyl)methyl]-1-(4-bromophenyl)methanamine
SMILESO=[N+]([O-])c1cc(CNCc2ccc(Br)cc2)ccc1Br
InChIInChI=1S/C14H12Br2N2O2/c15-12-4-1-10(2-5-12)8-17-9-11-3-6-13(16)14(7-11)18(19)20/h1-7,17H,8-9H2
InChIKeySRYRMUJBPSFLHK-UHFFFAOYSA-N
MW400.07 g/mol
LogP4.41
Rot. Bonds5

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

N-[(4-bromo-3-nitrophenyl)methyl]-1-(4-bromophenyl)methanamine (PubChem CID 60781321) has the molecular formula C14H12Br2N2O2 and a molecular weight of 400.07 g/mol. Its IUPAC name is N-[(4-bromo-3-nitrophenyl)methyl]-1-(4-bromophenyl)methanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-nitrophenyl)methyl]-1-(4-bromophenyl)methanamine
PubChem CID60781321
Molecular FormulaC14H12Br2N2O2
Molecular Weight400.07 g/mol
Exact Mass397.93
IUPAC NameN-[(4-bromo-3-nitrophenyl)methyl]-1-(4-bromophenyl)methanamine
SMILESO=[N+]([O-])c1cc(CNCc2ccc(Br)cc2)ccc1Br
InChIInChI=1S/C14H12Br2N2O2/c15-12-4-1-10(2-5-12)8-17-9-11-3-6-13(16)14(7-11)18(19)20/h1-7,17H,8-9H2
InChIKeySRYRMUJBPSFLHK-UHFFFAOYSA-N
XLogP4.41
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 54.41
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

N-[(4-bromo-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 43222843
2-[[(4-bromo-3-nitrophenyl)methylamino]methyl]phenol
CID 115603398
N-[(4-bromo-3-nitrophenyl)methyl]hydroxylamine
CID 82687440
N-[(4-bromo-3-nitrophenyl)methyl]-3-fluoropropan-1-amine
CID 115733081
2-[(4-bromo-3-nitrophenyl)methylamino]ethanesulfonamide
CID 43777311
N-[(4-bromo-3-nitrophenyl)methyl]-3-methylbutan-1-amine
CID 43222762
N-[(4-bromo-3-nitrophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 113243488
N-[(4-bromo-3-nitrophenyl)methyl]-2-methylsulfanylethanamine
CID 60663638
5-[(4-bromo-3-nitrophenyl)methylamino]pentan-1-ol
CID 107302954
N-[(4-bromo-3-nitrophenyl)methyl]pent-4-yn-1-amine
CID 113243563
N-[(4-bromo-3-nitrophenyl)methyl]hexan-1-amine
CID 43222797
1-(4-bromo-3-nitrophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60960572

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-nitrophenyl)methyl]-1-(4-bromophenyl)methanamine?
The IUPAC name of N-[(4-bromo-3-nitrophenyl)methyl]-1-(4-bromophenyl)methanamine (CID 60781321) is N-[(4-bromo-3-nitrophenyl)methyl]-1-(4-bromophenyl)methanamine.
What is the SMILES notation for N-[(4-bromo-3-nitrophenyl)methyl]-1-(4-bromophenyl)methanamine?
The canonical SMILES for N-[(4-bromo-3-nitrophenyl)methyl]-1-(4-bromophenyl)methanamine is O=[N+]([O-])c1cc(CNCc2ccc(Br)cc2)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-nitrophenyl)methyl]-1-(4-bromophenyl)methanamine?
The InChIKey is SRYRMUJBPSFLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O2/c15-12-4-1-10(2-5-12)8-17-9-11-3-6-13(16)14(7-11)18(19)20/h1-7,17H,8-9H2.
What are the key properties of N-[(4-bromo-3-nitrophenyl)methyl]-1-(4-bromophenyl)methanamine?
N-[(4-bromo-3-nitrophenyl)methyl]-1-(4-bromophenyl)methanamine has a molecular weight of 400.07 g/mol, XLogP of 4.41, 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-(4-bromophenyl)methanamine is sourced from PubChem (CID 60781321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).