ethane;4-methoxyaniline

C11H21NO — CID 144603339

IUPACethane;4-methoxyaniline
SMILESCC.CC.COc1ccc(N)cc1
InChIInChI=1S/C7H9NO.2C2H6/c1-9-7-4-2-6(8)3-5-7;2*1-2/h2-5H,8H2,1H3;2*1-2H3
InChIKeyGSDAAPDXMFSIJR-UHFFFAOYSA-N
MW183.29 g/mol
LogP3.33
Rot. Bonds1

About ethane;4-methoxyaniline

ethane;4-methoxyaniline (PubChem CID 144603339) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is ethane;4-methoxyaniline.

Molecular Properties

Compound Nameethane;4-methoxyaniline
PubChem CID144603339
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Nameethane;4-methoxyaniline
SMILESCC.CC.COc1ccc(N)cc1
InChIInChI=1S/C7H9NO.2C2H6/c1-9-7-4-2-6(8)3-5-7;2*1-2/h2-5H,8H2,1H3;2*1-2H3
InChIKeyGSDAAPDXMFSIJR-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methoxyaniline;hydrobromide
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4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane
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(4-aminophenyl) formate;4-methoxyaniline
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4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline
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benzaldehyde;4-methoxyaniline
CID 159915454
CID 59957117
CID 59957117
benzene-1,4-diamine;ethane;methane
CID 159498580
4-(2-aminoethyl)aniline;4-(2-aminoethyl)phenol;2-(4-methoxyphenyl)ethanamine
CID 70275717
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
4-(4-aminophenoxy)aniline
CID 161415647
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430

Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxyaniline?
The IUPAC name of ethane;4-methoxyaniline (CID 144603339) is ethane;4-methoxyaniline.
What is the SMILES notation for ethane;4-methoxyaniline?
The canonical SMILES for ethane;4-methoxyaniline is CC.CC.COc1ccc(N)cc1.
What is the InChIKey of ethane;4-methoxyaniline?
The InChIKey is GSDAAPDXMFSIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.2C2H6/c1-9-7-4-2-6(8)3-5-7;2*1-2/h2-5H,8H2,1H3;2*1-2H3.
What are the key properties of ethane;4-methoxyaniline?
ethane;4-methoxyaniline has a molecular weight of 183.29 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxyaniline is sourced from PubChem (CID 144603339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).