2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline

C15H18N4O2 — CID 107351465

IUPAC2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline
SMILESCCN(Cc1ccccn1)Cc1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C15H18N4O2/c1-2-18(11-13-7-3-4-9-17-13)10-12-6-5-8-14(15(12)16)19(20)21/h3-9H,2,10-11,16H2,1H3
InChIKeyLPDXTURKQCHQEU-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.59
Rot. Bonds6

About 2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline

2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline (PubChem CID 107351465) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline.

Molecular Properties

Compound Name2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline
PubChem CID107351465
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline
SMILESCCN(Cc1ccccn1)Cc1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C15H18N4O2/c1-2-18(11-13-7-3-4-9-17-13)10-12-6-5-8-14(15(12)16)19(20)21/h3-9H,2,10-11,16H2,1H3
InChIKeyLPDXTURKQCHQEU-UHFFFAOYSA-N
XLogP2.59
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-amino-3-nitrophenyl)methyl-ethylamino]ethanol
CID 107350928
2-[(2-amino-3-nitrophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 107351087
2-[[bis(2-methylpropyl)amino]methyl]-6-nitroaniline
CID 107350943
N-[(2-bromophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine
CID 78942264
N'-[(2-amino-3-nitrophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 107351082
N-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 70295850
N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline
CID 107350871
2-[[methyl(pentan-3-yl)amino]methyl]-6-nitroaniline
CID 107350885
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
2-[(2-amino-3-nitrophenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 107351216
2-[[bis(pyridin-2-ylmethyl)amino]methyl]aniline
CID 69057347
2-[2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylethanamine
CID 115464256

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline?
The IUPAC name of 2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline (CID 107351465) is 2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline.
What is the SMILES notation for 2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline?
The canonical SMILES for 2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline is CCN(Cc1ccccn1)Cc1cccc([N+](=O)[O-])c1N.
What is the InChIKey of 2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline?
The InChIKey is LPDXTURKQCHQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-18(11-13-7-3-4-9-17-13)10-12-6-5-8-14(15(12)16)19(20)21/h3-9H,2,10-11,16H2,1H3.
What are the key properties of 2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline?
2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline has a molecular weight of 286.33 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline is sourced from PubChem (CID 107351465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).