2-N,2-N-dimethyl-1-N-[2-(2-nitrophenyl)ethyl]benzene-1,2-diamine

C16H19N3O2 — CID 106759841

IUPAC2-N,2-N-dimethyl-1-N-[2-(2-nitrophenyl)ethyl]benzene-1,2-diamine
SMILESCN(C)c1ccccc1NCCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H19N3O2/c1-18(2)16-10-6-4-8-14(16)17-12-11-13-7-3-5-9-15(13)19(20)21/h3-10,17H,11-12H2,1-2H3
InChIKeyYUHRAQRUVBTAJU-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.32
Rot. Bonds6

About 2-N,2-N-dimethyl-1-N-[2-(2-nitrophenyl)ethyl]benzene-1,2-diamine

2-N,2-N-dimethyl-1-N-[2-(2-nitrophenyl)ethyl]benzene-1,2-diamine (PubChem CID 106759841) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-[2-(2-nitrophenyl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-[2-(2-nitrophenyl)ethyl]benzene-1,2-diamine
PubChem CID106759841
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-N,2-N-dimethyl-1-N-[2-(2-nitrophenyl)ethyl]benzene-1,2-diamine
SMILESCN(C)c1ccccc1NCCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H19N3O2/c1-18(2)16-10-6-4-8-14(16)17-12-11-13-7-3-5-9-15(13)19(20)21/h3-10,17H,11-12H2,1-2H3
InChIKeyYUHRAQRUVBTAJU-UHFFFAOYSA-N
XLogP3.32
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.32
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

2-bromo-N-[2-(2-nitrophenyl)ethyl]aniline
CID 63062431
1,1-dimethyl-2-[2-(2-nitrophenyl)ethyl]hydrazine
CID 83014156
N-[2-(dimethylamino)phenyl]-N-methyl-1-(2-nitrophenyl)methanesulfonamide
CID 75522296
2,4-dimethyl-5-methylsulfonyl-N-[2-(2-nitrophenyl)ethyl]aniline
CID 142578232
5-bromo-4-fluoro-2-methyl-N-[2-(2-nitrophenyl)ethyl]aniline
CID 107592138
5-bromo-2-fluoro-N-[2-(2-nitrophenyl)ethyl]aniline
CID 63062280
4-chloro-2-iodo-N-[2-(2-nitrophenyl)ethyl]aniline
CID 107635333
2-ethyl-N-[(2-nitrophenyl)methyl]aniline
CID 28583356
N-ethyl-2-nitroaniline;1-heptyl-2-nitrobenzene;2-nitro-N-pentylaniline;1-nitro-2-pentylbenzene;2-nitro-N-propylaniline
CID 167568190
3-fluoro-5-methyl-N-[2-(2-nitrophenyl)ethyl]aniline
CID 79054676
2,6-dibromo-4-methyl-N-[2-(2-nitrophenyl)ethyl]aniline
CID 63490060
N-[2-(2-nitrophenyl)ethyl]pentan-3-amine
CID 55145860

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-[2-(2-nitrophenyl)ethyl]benzene-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-[2-(2-nitrophenyl)ethyl]benzene-1,2-diamine (CID 106759841) is 2-N,2-N-dimethyl-1-N-[2-(2-nitrophenyl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-[2-(2-nitrophenyl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-[2-(2-nitrophenyl)ethyl]benzene-1,2-diamine is CN(C)c1ccccc1NCCc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-N,2-N-dimethyl-1-N-[2-(2-nitrophenyl)ethyl]benzene-1,2-diamine?
The InChIKey is YUHRAQRUVBTAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-18(2)16-10-6-4-8-14(16)17-12-11-13-7-3-5-9-15(13)19(20)21/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-[2-(2-nitrophenyl)ethyl]benzene-1,2-diamine?
2-N,2-N-dimethyl-1-N-[2-(2-nitrophenyl)ethyl]benzene-1,2-diamine has a molecular weight of 285.35 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-[2-(2-nitrophenyl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 106759841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).