benzene;N-methoxyaniline

C13H15NO — CID 159505017

IUPACbenzene;N-methoxyaniline
SMILESCONc1ccccc1.c1ccccc1
InChIInChI=1S/C7H9NO.C6H6/c1-9-8-7-5-3-2-4-6-7;1-2-4-6-5-3-1/h2-6,8H,1H3;1-6H
InChIKeyLZWKDUPFWBILMB-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.35
Rot. Bonds2

About benzene;N-methoxyaniline

benzene;N-methoxyaniline (PubChem CID 159505017) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is benzene;N-methoxyaniline.

Molecular Properties

Compound Namebenzene;N-methoxyaniline
PubChem CID159505017
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Namebenzene;N-methoxyaniline
SMILESCONc1ccccc1.c1ccccc1
InChIInChI=1S/C7H9NO.C6H6/c1-9-8-7-5-3-2-4-6-7;1-2-4-6-5-3-1/h2-6,8H,1H3;1-6H
InChIKeyLZWKDUPFWBILMB-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-methoxy-1-N-phenylbenzene-1,4-diamine
CID 23137119
acetic acid;N-methoxyaniline
CID 174899473
isocyanic acid;N-methoxyaniline
CID 172774828
N-methoxy-3-phenoxyaniline
CID 90688975
4-N-methoxy-1-N-methylbenzene-1,4-diamine
CID 87142473
anilinooxy(methoxy)methanol
CID 174983355
N,4-dimethoxyaniline
CID 23340556
methyl 2-anilinooxyacetate
CID 154072974
N-sulfanyloxyaniline
CID 141339499
N-[3-(methoxyamino)phenyl]acetamide;toluene
CID 163614095
(2R)-2-anilinooxypropan-1-ol
CID 11252218
2-methoxy-2-phenylethenone
CID 11819198

Frequently Asked Questions

What is the IUPAC name of benzene;N-methoxyaniline?
The IUPAC name of benzene;N-methoxyaniline (CID 159505017) is benzene;N-methoxyaniline.
What is the SMILES notation for benzene;N-methoxyaniline?
The canonical SMILES for benzene;N-methoxyaniline is CONc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;N-methoxyaniline?
The InChIKey is LZWKDUPFWBILMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.C6H6/c1-9-8-7-5-3-2-4-6-7;1-2-4-6-5-3-1/h2-6,8H,1H3;1-6H.
What are the key properties of benzene;N-methoxyaniline?
benzene;N-methoxyaniline has a molecular weight of 201.27 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-methoxyaniline is sourced from PubChem (CID 159505017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).