N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine

C14H15N3O2 — CID 43181334

IUPACN-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
SMILESCC(NCc1ccccc1[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C14H15N3O2/c1-11(13-7-4-5-9-15-13)16-10-12-6-2-3-8-14(12)17(18)19/h2-9,11,16H,10H2,1H3
InChIKeyIUTCQFVPHJMGNU-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.84
Rot. Bonds5

About N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine

N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 43181334) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
PubChem CID43181334
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
SMILESCC(NCc1ccccc1[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C14H15N3O2/c1-11(13-7-4-5-9-15-13)16-10-12-6-2-3-8-14(12)17(18)19/h2-9,11,16H,10H2,1H3
InChIKeyIUTCQFVPHJMGNU-UHFFFAOYSA-N
XLogP2.84
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(1R)-N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28648797
N-[(2-methyl-3-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43524371
(1R)-N-[(4-chloro-2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
CID 81406489
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401879
(1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine
CID 28564784
N-[(2-chloro-5-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43462310
N-[(5-nitrothiophen-3-yl)methyl]-1-pyridin-2-ylethanamine
CID 60810570
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile
CID 93034581
1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 43223746
(1R)-N-[(3-bromo-5-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
CID 103350968
(1S)-N-[(3-fluoro-5-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
CID 103954488

Frequently Asked Questions

What is the IUPAC name of N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine (CID 43181334) is N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine is CC(NCc1ccccc1[N+](=O)[O-])c1ccccn1.
What is the InChIKey of N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is IUTCQFVPHJMGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-11(13-7-4-5-9-15-13)16-10-12-6-2-3-8-14(12)17(18)19/h2-9,11,16H,10H2,1H3.
What are the key properties of N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine?
N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine has a molecular weight of 257.29 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 43181334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).