(1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine

C15H15ClN2O2 — CID 28649765

IUPAC(1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine
SMILESC[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-11(13-3-2-4-14(16)9-13)17-10-12-5-7-15(8-6-12)18(19)20/h2-9,11,17H,10H2,1H3/t11-/m1/s1
InChIKeyQHODSLPCFKFCKE-LLVKDONJSA-N
MW290.75 g/mol
LogP4.10
Rot. Bonds5

About (1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine

(1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine (PubChem CID 28649765) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine
PubChem CID28649765
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name(1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine
SMILESC[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-11(13-3-2-4-14(16)9-13)17-10-12-5-7-15(8-6-12)18(19)20/h2-9,11,17H,10H2,1H3/t11-/m1/s1
InChIKeyQHODSLPCFKFCKE-LLVKDONJSA-N
XLogP4.10
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.10
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-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 62537905
N-[(4-chlorophenyl)methyl]-1-(3-nitrophenyl)ethanamine
CID 43183259
N-[(2-chloro-5-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 43462312
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024
1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]propan-2-amine
CID 43694721
N-[(4-ethylphenyl)methyl]-1-(3-nitrophenyl)ethanamine
CID 60943582
1-(4-chloro-3-fluorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 82887406
(1S)-N-[(4-bromophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 28649443
4-[[1-(3-chlorophenyl)ethylamino]methyl]benzenesulfonamide
CID 43093327
(1R)-1-(3-chlorophenyl)-2-[1-(4-nitrophenyl)ethylamino]ethanol
CID 175021813
(1R)-N-[(5-chloro-2-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81371261
4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]benzoic acid
CID 81366062

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine (CID 28649765) is (1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine is C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine?
The InChIKey is QHODSLPCFKFCKE-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-11(13-3-2-4-14(16)9-13)17-10-12-5-7-15(8-6-12)18(19)20/h2-9,11,17H,10H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine?
(1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine has a molecular weight of 290.75 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 28649765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).