N-ethyl-3-methyl-4-nitrosoaniline

C9H12N2O — CID 21453393

IUPACN-ethyl-3-methyl-4-nitrosoaniline
SMILESCCNc1ccc(N=O)c(C)c1
InChIInChI=1S/C9H12N2O/c1-3-10-8-4-5-9(11-12)7(2)6-8/h4-6,10H,3H2,1-2H3
InChIKeyVQSJNAMQTOIRCT-UHFFFAOYSA-N
MW164.21 g/mol
LogP2.82
Rot. Bonds3

About N-ethyl-3-methyl-4-nitrosoaniline

N-ethyl-3-methyl-4-nitrosoaniline (PubChem CID 21453393) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N-ethyl-3-methyl-4-nitrosoaniline.

Molecular Properties

Compound NameN-ethyl-3-methyl-4-nitrosoaniline
PubChem CID21453393
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN-ethyl-3-methyl-4-nitrosoaniline
SMILESCCNc1ccc(N=O)c(C)c1
InChIInChI=1S/C9H12N2O/c1-3-10-8-4-5-9(11-12)7(2)6-8/h4-6,10H,3H2,1-2H3
InChIKeyVQSJNAMQTOIRCT-UHFFFAOYSA-N
XLogP2.82
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-diethyl-2-methylbenzene-1,4-diamine
CID 18957572
4-bromo-N-ethyl-3-methylaniline;hydrochloride
CID 75530858
4-ethoxy-N-ethyl-3-methylaniline
CID 82490653
4-N-ethyl-2-methylbenzene-1,4-diamine;oxirane
CID 88803762
2-methyl-1-nitroso-4-propoxybenzene
CID 88930655
N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732922
4-N-(4-chloro-3-methylphenyl)-1-N-ethylbenzene-1,4-diamine
CID 71038618
4-N,2-diethylbenzene-1,4-diamine
CID 69192870
N-(2,2-difluoroethyl)-4-(ethylamino)-2-methylbenzamide
CID 113400228
N-ethyl-4-(ethylamino)-2-methyl-N-propylbenzamide
CID 113400156
4-(ethylamino)-2-methyl-N-pentylbenzamide
CID 113400130
[4-(ethylamino)phenyl]carbamic acid
CID 122640243

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-4-nitrosoaniline?
The IUPAC name of N-ethyl-3-methyl-4-nitrosoaniline (CID 21453393) is N-ethyl-3-methyl-4-nitrosoaniline.
What is the SMILES notation for N-ethyl-3-methyl-4-nitrosoaniline?
The canonical SMILES for N-ethyl-3-methyl-4-nitrosoaniline is CCNc1ccc(N=O)c(C)c1.
What is the InChIKey of N-ethyl-3-methyl-4-nitrosoaniline?
The InChIKey is VQSJNAMQTOIRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-3-10-8-4-5-9(11-12)7(2)6-8/h4-6,10H,3H2,1-2H3.
What are the key properties of N-ethyl-3-methyl-4-nitrosoaniline?
N-ethyl-3-methyl-4-nitrosoaniline has a molecular weight of 164.21 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-4-nitrosoaniline is sourced from PubChem (CID 21453393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).