(1R)-N-[(5-chloro-2-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine

C15H14Cl2N2O2 — CID 81371261

IUPAC(1R)-N-[(5-chloro-2-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine
SMILESC[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-10(11-3-2-4-13(16)7-11)18-9-12-8-14(17)5-6-15(12)19(20)21/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyIYGVDWFZKYGLTE-SNVBAGLBSA-N
MW325.20 g/mol
LogP4.75
Rot. Bonds5

About (1R)-N-[(5-chloro-2-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine

(1R)-N-[(5-chloro-2-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine (PubChem CID 81371261) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is (1R)-N-[(5-chloro-2-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-chloro-2-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine
PubChem CID81371261
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name(1R)-N-[(5-chloro-2-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine
SMILESC[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-10(11-3-2-4-13(16)7-11)18-9-12-8-14(17)5-6-15(12)19(20)21/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyIYGVDWFZKYGLTE-SNVBAGLBSA-N
XLogP4.75
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.75
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-[(2-chloro-6-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81370984
N-[(2-chloro-5-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 43462312
(2S)-2-[(5-chloro-2-nitrophenyl)methylamino]propanoic acid
CID 83194014
(1S)-1-(4-chlorophenyl)-N-[(5-fluoro-2-nitrophenyl)methyl]ethanamine
CID 81356643
(1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 28649765
N-[(5-chloro-2-nitrophenyl)methyl]-3,3-dimethylbutan-2-amine
CID 115670389
N-(5-chloro-2-nitrophenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9331654
N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 114841425
(1S)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104979988
3-[1-[(2-nitrophenyl)methylamino]ethyl]phenol
CID 43748437
(1R)-1-(3-bromophenyl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 81371840
(1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine
CID 28564784

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-chloro-2-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(5-chloro-2-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine (CID 81371261) is (1R)-N-[(5-chloro-2-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(5-chloro-2-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(5-chloro-2-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine is C[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(Cl)c1.
What is the InChIKey of (1R)-N-[(5-chloro-2-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine?
The InChIKey is IYGVDWFZKYGLTE-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-10(11-3-2-4-13(16)7-11)18-9-12-8-14(17)5-6-15(12)19(20)21/h2-8,10,18H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(5-chloro-2-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine?
(1R)-N-[(5-chloro-2-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine has a molecular weight of 325.20 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-chloro-2-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine is sourced from PubChem (CID 81371261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).