(1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-(2-bromophenyl)ethanamine

C15H14Br2N2O2 — CID 104916357

IUPAC(1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-(2-bromophenyl)ethanamine
SMILESC[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1Br
InChIInChI=1S/C15H14Br2N2O2/c1-10(13-4-2-3-5-14(13)17)18-9-11-6-7-12(16)8-15(11)19(20)21/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyJZZBRLJZADUUKG-SNVBAGLBSA-N
MW414.10 g/mol
LogP4.97
Rot. Bonds5

About (1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-(2-bromophenyl)ethanamine

(1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-(2-bromophenyl)ethanamine (PubChem CID 104916357) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is (1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-(2-bromophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-(2-bromophenyl)ethanamine
PubChem CID104916357
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC Name(1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-(2-bromophenyl)ethanamine
SMILESC[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1Br
InChIInChI=1S/C15H14Br2N2O2/c1-10(13-4-2-3-5-14(13)17)18-9-11-6-7-12(16)8-15(11)19(20)21/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyJZZBRLJZADUUKG-SNVBAGLBSA-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

(1S)-N-[(4-bromo-2-nitrophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104916353
(1S)-N-[(4-bromo-2-nitrophenyl)methyl]-1-phenylethanamine
CID 104916334
N-[(4-bromo-2-nitrophenyl)methyl]-1-phenylethanamine
CID 114380935
(1S)-1-(2-bromophenyl)-N-[(5-fluoro-2-nitrophenyl)methyl]ethanamine
CID 81378356
(1R)-1-(2-bromophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 81379184
1-(4-bromo-2-nitrophenyl)-N-[(2-bromophenyl)methyl]methanamine
CID 114381152
N-[(4-bromo-2-nitrophenyl)methyl]-4-methylpent-1-yn-3-amine
CID 114202039
N-[(4-bromo-2-nitrophenyl)methyl]-4-methoxybutan-2-amine
CID 114381347
N-[(4-bromo-2-nitrophenyl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 114381164
(1R)-N-[(4-chloro-2-nitrophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81364114
N-[(4-chloro-2-nitrophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 62101267
(1R)-1-(3-bromophenyl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 81371840

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-(2-bromophenyl)ethanamine?
The IUPAC name of (1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-(2-bromophenyl)ethanamine (CID 104916357) is (1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-(2-bromophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-(2-bromophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-(2-bromophenyl)ethanamine is C[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])c1ccccc1Br.
What is the InChIKey of (1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-(2-bromophenyl)ethanamine?
The InChIKey is JZZBRLJZADUUKG-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c1-10(13-4-2-3-5-14(13)17)18-9-11-6-7-12(16)8-15(11)19(20)21/h2-8,10,18H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-(2-bromophenyl)ethanamine?
(1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-(2-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 (1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-(2-bromophenyl)ethanamine is sourced from PubChem (CID 104916357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).