N-ethyl-N-methyl-4-[(2-phenylhydrazinyl)methyl]aniline

C16H21N3 — CID 169385725

IUPACN-ethyl-N-methyl-4-[(2-phenylhydrazinyl)methyl]aniline
SMILESCCN(C)c1ccc(CNNc2ccccc2)cc1
InChIInChI=1S/C16H21N3/c1-3-19(2)16-11-9-14(10-12-16)13-17-18-15-7-5-4-6-8-15/h4-12,17-18H,3,13H2,1-2H3
InChIKeyPJOHEHSZEYZHEI-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.26
Rot. Bonds6

About N-ethyl-N-methyl-4-[(2-phenylhydrazinyl)methyl]aniline

N-ethyl-N-methyl-4-[(2-phenylhydrazinyl)methyl]aniline (PubChem CID 169385725) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-ethyl-N-methyl-4-[(2-phenylhydrazinyl)methyl]aniline.

Molecular Properties

Compound NameN-ethyl-N-methyl-4-[(2-phenylhydrazinyl)methyl]aniline
PubChem CID169385725
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-ethyl-N-methyl-4-[(2-phenylhydrazinyl)methyl]aniline
SMILESCCN(C)c1ccc(CNNc2ccccc2)cc1
InChIInChI=1S/C16H21N3/c1-3-19(2)16-11-9-14(10-12-16)13-17-18-15-7-5-4-6-8-15/h4-12,17-18H,3,13H2,1-2H3
InChIKeyPJOHEHSZEYZHEI-UHFFFAOYSA-N
XLogP3.26
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(2-phenylhydrazinyl)methyl]phenyl]methyl]-N-propylpropan-1-amine
CID 169384974
1-[(4-chlorophenyl)methyl]-2-phenylhydrazine
CID 70410939
1-phenyl-2-[[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]hydrazine
CID 169385880
N-benzyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280663
1-[(4-cyclobutylphenyl)methyl]-2-phenylhydrazine
CID 169386516
1-N-[4-(aminomethyl)phenyl]-4-N-ethyl-4-N-methylbenzene-1,4-diamine
CID 163910890
N,N-dimethyl-1-[3-[(2-phenylhydrazinyl)methyl]phenyl]ethanamine
CID 169384689
1-phenyl-2-[[4-(thiadiazol-4-yl)phenyl]methyl]hydrazine
CID 169386844
1-[[4-(3,4-dichlorophenyl)phenyl]methyl]-2-phenylhydrazine
CID 169386868
[2-methyl-4-[(2-phenylhydrazinyl)methyl]phenyl]boronic acid
CID 169384701
1-phenyl-2-[(4-quinolin-3-ylphenyl)methyl]hydrazine
CID 169386546
N-butyl-N-[[3-[(2-phenylhydrazinyl)methyl]phenyl]methyl]butan-1-amine
CID 169384956

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-4-[(2-phenylhydrazinyl)methyl]aniline?
The IUPAC name of N-ethyl-N-methyl-4-[(2-phenylhydrazinyl)methyl]aniline (CID 169385725) is N-ethyl-N-methyl-4-[(2-phenylhydrazinyl)methyl]aniline.
What is the SMILES notation for N-ethyl-N-methyl-4-[(2-phenylhydrazinyl)methyl]aniline?
The canonical SMILES for N-ethyl-N-methyl-4-[(2-phenylhydrazinyl)methyl]aniline is CCN(C)c1ccc(CNNc2ccccc2)cc1.
What is the InChIKey of N-ethyl-N-methyl-4-[(2-phenylhydrazinyl)methyl]aniline?
The InChIKey is PJOHEHSZEYZHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-19(2)16-11-9-14(10-12-16)13-17-18-15-7-5-4-6-8-15/h4-12,17-18H,3,13H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-4-[(2-phenylhydrazinyl)methyl]aniline?
N-ethyl-N-methyl-4-[(2-phenylhydrazinyl)methyl]aniline has a molecular weight of 255.37 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-4-[(2-phenylhydrazinyl)methyl]aniline is sourced from PubChem (CID 169385725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).