2-ethyl-N-[(2-nitrophenyl)methyl]aniline

C15H16N2O2 — CID 28583356

IUPAC2-ethyl-N-[(2-nitrophenyl)methyl]aniline
SMILESCCc1ccccc1NCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O2/c1-2-12-7-3-5-9-14(12)16-11-13-8-4-6-10-15(13)17(18)19/h3-10,16H,2,11H2,1H3
InChIKeyYOHJESNGYVSWTL-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.77
Rot. Bonds5

About 2-ethyl-N-[(2-nitrophenyl)methyl]aniline

2-ethyl-N-[(2-nitrophenyl)methyl]aniline (PubChem CID 28583356) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-ethyl-N-[(2-nitrophenyl)methyl]aniline.

Molecular Properties

Compound Name2-ethyl-N-[(2-nitrophenyl)methyl]aniline
PubChem CID28583356
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-ethyl-N-[(2-nitrophenyl)methyl]aniline
SMILESCCc1ccccc1NCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O2/c1-2-12-7-3-5-9-14(12)16-11-13-8-4-6-10-15(13)17(18)19/h3-10,16H,2,11H2,1H3
InChIKeyYOHJESNGYVSWTL-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
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

2-(methylsulfonylmethyl)-N-[(2-nitrophenyl)methyl]aniline
CID 154749719
N-[(2,4-difluoro-5-nitrophenyl)methyl]-2-ethylaniline
CID 43764592
N,N-dimethyl-2-[2-[(2-nitrophenyl)methylamino]phenyl]acetamide
CID 71981770
4-ethyl-3-nitro-N-[(2-nitrophenyl)methyl]aniline
CID 78883010
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
N-[(4-bromo-3-nitrophenyl)methyl]-2-ethylaniline
CID 43764517
N-[(2-bromo-4-nitrophenyl)methyl]-2-ethylaniline
CID 60792155
N-[[2-(aminomethyl)phenyl]methyl]-2-nitroaniline
CID 62950463
N-[[2-(2,4-dinitrophenoxy)phenyl]methyl]-2-ethylaniline
CID 126123177
4-methyl-N-[(2-nitrophenyl)methyl]pyridin-3-amine
CID 63329672
2,5-dichloro-4-methyl-N-[(2-nitrophenyl)methyl]aniline
CID 104725978
N-[(2-chloro-5-nitrophenyl)methyl]-2-ethylaniline
CID 43462286

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2-nitrophenyl)methyl]aniline?
The IUPAC name of 2-ethyl-N-[(2-nitrophenyl)methyl]aniline (CID 28583356) is 2-ethyl-N-[(2-nitrophenyl)methyl]aniline.
What is the SMILES notation for 2-ethyl-N-[(2-nitrophenyl)methyl]aniline?
The canonical SMILES for 2-ethyl-N-[(2-nitrophenyl)methyl]aniline is CCc1ccccc1NCc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-ethyl-N-[(2-nitrophenyl)methyl]aniline?
The InChIKey is YOHJESNGYVSWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-12-7-3-5-9-14(12)16-11-13-8-4-6-10-15(13)17(18)19/h3-10,16H,2,11H2,1H3.
What are the key properties of 2-ethyl-N-[(2-nitrophenyl)methyl]aniline?
2-ethyl-N-[(2-nitrophenyl)methyl]aniline has a molecular weight of 256.31 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2-nitrophenyl)methyl]aniline is sourced from PubChem (CID 28583356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).