ethane;methane;3-methoxy-4-methylaniline

C11H21NO — CID 144516222

IUPACethane;methane;3-methoxy-4-methylaniline
SMILESC.CC.COc1cc(N)ccc1C
InChIInChI=1S/C8H11NO.C2H6.CH4/c1-6-3-4-7(9)5-8(6)10-2;1-2;/h3-5H,9H2,1-2H3;1-2H3;1H4
InChIKeyLWEFFEVEOQMBEG-UHFFFAOYSA-N
MW183.29 g/mol
LogP3.25
Rot. Bonds1

About ethane;methane;3-methoxy-4-methylaniline

ethane;methane;3-methoxy-4-methylaniline (PubChem CID 144516222) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is ethane;methane;3-methoxy-4-methylaniline.

Molecular Properties

Compound Nameethane;methane;3-methoxy-4-methylaniline
PubChem CID144516222
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Nameethane;methane;3-methoxy-4-methylaniline
SMILESC.CC.COc1cc(N)ccc1C
InChIInChI=1S/C8H11NO.C2H6.CH4/c1-6-3-4-7(9)5-8(6)10-2;1-2;/h3-5H,9H2,1-2H3;1-2H3;1H4
InChIKeyLWEFFEVEOQMBEG-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(methoxymethoxy)-4-methylaniline
CID 65365143
3-(4-fluorophenoxy)-4-methylaniline
CID 102167590
4-chloro-2-methoxy-1-methylbenzene;ethane
CID 143462337
4-[(3,4-dimethylphenyl)diazenyl]-3-methoxyaniline
CID 118049560
3-(2,5-dimethylphenyl)-4-methoxyaniline
CID 39247090
3-(3,4-dimethoxyphenyl)-4-methylaniline
CID 39232128
3-(4-methoxy-3-methylphenyl)-4-methylaniline
CID 55202323
4-bromo-3-methoxyaniline;iron
CID 158491783
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62588272
4-(5-amino-2-methylphenyl)-2,6-dimethoxyphenol
CID 174720753
3-[(2,6-dimethyl-4-pyridinyl)oxy]-4-methoxyaniline
CID 114272204

Frequently Asked Questions

What is the IUPAC name of ethane;methane;3-methoxy-4-methylaniline?
The IUPAC name of ethane;methane;3-methoxy-4-methylaniline (CID 144516222) is ethane;methane;3-methoxy-4-methylaniline.
What is the SMILES notation for ethane;methane;3-methoxy-4-methylaniline?
The canonical SMILES for ethane;methane;3-methoxy-4-methylaniline is C.CC.COc1cc(N)ccc1C.
What is the InChIKey of ethane;methane;3-methoxy-4-methylaniline?
The InChIKey is LWEFFEVEOQMBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C2H6.CH4/c1-6-3-4-7(9)5-8(6)10-2;1-2;/h3-5H,9H2,1-2H3;1-2H3;1H4.
What are the key properties of ethane;methane;3-methoxy-4-methylaniline?
ethane;methane;3-methoxy-4-methylaniline has a molecular weight of 183.29 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;3-methoxy-4-methylaniline is sourced from PubChem (CID 144516222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).