3-hydrazinyl-N-methyl-5-nitro-N-(2-phenylethyl)aniline

C15H18N4O2 — CID 80924169

IUPAC3-hydrazinyl-N-methyl-5-nitro-N-(2-phenylethyl)aniline
SMILESCN(CCc1ccccc1)c1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H18N4O2/c1-18(8-7-12-5-3-2-4-6-12)14-9-13(17-16)10-15(11-14)19(20)21/h2-6,9-11,17H,7-8,16H2,1H3
InChIKeyXHBSALHBQUHEED-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.56
Rot. Bonds6

About 3-hydrazinyl-N-methyl-5-nitro-N-(2-phenylethyl)aniline

3-hydrazinyl-N-methyl-5-nitro-N-(2-phenylethyl)aniline (PubChem CID 80924169) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-hydrazinyl-N-methyl-5-nitro-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name3-hydrazinyl-N-methyl-5-nitro-N-(2-phenylethyl)aniline
PubChem CID80924169
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name3-hydrazinyl-N-methyl-5-nitro-N-(2-phenylethyl)aniline
SMILESCN(CCc1ccccc1)c1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H18N4O2/c1-18(8-7-12-5-3-2-4-6-12)14-9-13(17-16)10-15(11-14)19(20)21/h2-6,9-11,17H,7-8,16H2,1H3
InChIKeyXHBSALHBQUHEED-UHFFFAOYSA-N
XLogP2.56
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

N'-(3-hydrazinyl-5-nitrophenyl)-N,N,N'-trimethylpropane-1,3-diamine
CID 80909909
3-hydrazinyl-N-methyl-5-nitro-N-(pyridin-3-ylmethyl)aniline
CID 80905726
N-ethyl-3-hydrazinyl-5-nitro-N-phenylaniline
CID 80917523
N-(cyclopentylmethyl)-3-hydrazinyl-N-methyl-5-nitroaniline
CID 80910026
N-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline
CID 80894806
3-hydrazinyl-N,N-bis(2-methoxyethyl)-5-nitroaniline
CID 80895595
(3-nitro-5-phenylmethoxyphenyl)hydrazine
CID 80910196
3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline
CID 80924180
3-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitroaniline
CID 80905083
1-N,3-N-dimethyl-3-N-[(3-methylphenyl)methyl]-5-nitrobenzene-1,3-diamine
CID 80777313
1-N,3-N-dimethyl-5-nitro-3-N-pentylbenzene-1,3-diamine
CID 80784506
2-(bromomethyl)-N-methyl-4-nitro-N-(2-phenylethyl)aniline
CID 107084159

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-methyl-5-nitro-N-(2-phenylethyl)aniline?
The IUPAC name of 3-hydrazinyl-N-methyl-5-nitro-N-(2-phenylethyl)aniline (CID 80924169) is 3-hydrazinyl-N-methyl-5-nitro-N-(2-phenylethyl)aniline.
What is the SMILES notation for 3-hydrazinyl-N-methyl-5-nitro-N-(2-phenylethyl)aniline?
The canonical SMILES for 3-hydrazinyl-N-methyl-5-nitro-N-(2-phenylethyl)aniline is CN(CCc1ccccc1)c1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-hydrazinyl-N-methyl-5-nitro-N-(2-phenylethyl)aniline?
The InChIKey is XHBSALHBQUHEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18(8-7-12-5-3-2-4-6-12)14-9-13(17-16)10-15(11-14)19(20)21/h2-6,9-11,17H,7-8,16H2,1H3.
What are the key properties of 3-hydrazinyl-N-methyl-5-nitro-N-(2-phenylethyl)aniline?
3-hydrazinyl-N-methyl-5-nitro-N-(2-phenylethyl)aniline has a molecular weight of 286.34 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-methyl-5-nitro-N-(2-phenylethyl)aniline is sourced from PubChem (CID 80924169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).