N-(4-methoxyphenyl)-2-nitrosoaniline

C13H12N2O2 — CID 154665125

IUPACN-(4-methoxyphenyl)-2-nitrosoaniline
SMILESCOc1ccc(Nc2ccccc2N=O)cc1
InChIInChI=1S/C13H12N2O2/c1-17-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15-16/h2-9,14H,1H3
InChIKeyYJVOTEGYGCRAFV-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.84
Rot. Bonds4

About N-(4-methoxyphenyl)-2-nitrosoaniline

N-(4-methoxyphenyl)-2-nitrosoaniline (PubChem CID 154665125) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-nitrosoaniline.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-nitrosoaniline
PubChem CID154665125
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC NameN-(4-methoxyphenyl)-2-nitrosoaniline
SMILESCOc1ccc(Nc2ccccc2N=O)cc1
InChIInChI=1S/C13H12N2O2/c1-17-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15-16/h2-9,14H,1H3
InChIKeyYJVOTEGYGCRAFV-UHFFFAOYSA-N
XLogP3.84
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(4-methoxyanilino)phenyl]phenyl]-N-(4-methoxyphenyl)aniline
CID 90151027
bis[2-(4-methoxyanilino)phenyl]methanone
CID 141301142
N-(4-nitrophenyl)-2-nitrosoaniline
CID 14968784
4-(4-methoxy-2-nitrosoanilino)benzonitrile
CID 91108712
1,8-bis(4-methoxyanilino)anthracene-9,10-dione
CID 22756934
2-[(2,6-diethylphenyl)iminomethyl]-N-(4-methoxyphenyl)aniline
CID 139077384
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
propan-2-yl 2-(4-methoxyanilino)benzoate
CID 54153670
4-methoxyaniline;2-(4-methoxyanilino)benzoic acid
CID 158145987
N'-hydrazinyl-2-(4-methoxyanilino)benzenecarboximidamide
CID 142467985
ethyl 2-(4-methoxyanilino)benzoate
CID 13424427
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-nitrosoaniline?
The IUPAC name of N-(4-methoxyphenyl)-2-nitrosoaniline (CID 154665125) is N-(4-methoxyphenyl)-2-nitrosoaniline.
What is the SMILES notation for N-(4-methoxyphenyl)-2-nitrosoaniline?
The canonical SMILES for N-(4-methoxyphenyl)-2-nitrosoaniline is COc1ccc(Nc2ccccc2N=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-nitrosoaniline?
The InChIKey is YJVOTEGYGCRAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-17-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15-16/h2-9,14H,1H3.
What are the key properties of N-(4-methoxyphenyl)-2-nitrosoaniline?
N-(4-methoxyphenyl)-2-nitrosoaniline has a molecular weight of 228.25 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-nitrosoaniline is sourced from PubChem (CID 154665125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).