(1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine

C15H16N2O2 — CID 28564784

IUPAC(1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine
SMILESC[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H16N2O2/c1-12(13-7-3-2-4-8-13)16-11-14-9-5-6-10-15(14)17(18)19/h2-10,12,16H,11H2,1H3/t12-/m1/s1
InChIKeyOAHBVIRILQTCKV-GFCCVEGCSA-N
MW256.31 g/mol
LogP3.45
Rot. Bonds5

About (1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine

(1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine (PubChem CID 28564784) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine
PubChem CID28564784
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name(1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine
SMILESC[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H16N2O2/c1-12(13-7-3-2-4-8-13)16-11-14-9-5-6-10-15(14)17(18)19/h2-10,12,16H,11H2,1H3/t12-/m1/s1
InChIKeyOAHBVIRILQTCKV-GFCCVEGCSA-N
XLogP3.45
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.45
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

1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 43223746
(1R)-1-(3-bromophenyl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 81371840
3-[1-[(2-nitrophenyl)methylamino]ethyl]phenol
CID 43748437
N-[(2-nitrophenyl)methyl]-1,1-diphenylmethanamine
CID 30789921
(1S)-N-[(4-bromo-2-nitrophenyl)methyl]-1-phenylethanamine
CID 104916334
N-[(4-bromo-2-nitrophenyl)methyl]-1-phenylethanamine
CID 114380935
N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181334
(1R)-N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28648797
N-[(2-nitrophenyl)methyl]-1,2-diphenylethanamine
CID 2851831
N-[(2-nitrophenyl)methyl]-4-phenylbutan-2-amine
CID 43182145
N-[(2-nitrophenyl)methyl]pentan-3-amine
CID 28566580
3-[(2-nitrophenyl)methylamino]-3-phenylpropanenitrile
CID 62778720

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine (CID 28564784) is (1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine is C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of (1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine?
The InChIKey is OAHBVIRILQTCKV-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-12(13-7-3-2-4-8-13)16-11-14-9-5-6-10-15(14)17(18)19/h2-10,12,16H,11H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine?
(1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine has a molecular weight of 256.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine is sourced from PubChem (CID 28564784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).