ethane;4-methoxy-N,3-dimethylaniline

C11H19NO — CID 142876075

IUPACethane;4-methoxy-N,3-dimethylaniline
SMILESCC.CNc1ccc(OC)c(C)c1
InChIInChI=1S/C9H13NO.C2H6/c1-7-6-8(10-2)4-5-9(7)11-3;1-2/h4-6,10H,1-3H3;1-2H3
InChIKeyFGGLTQCERYRFOQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.07
Rot. Bonds2

About ethane;4-methoxy-N,3-dimethylaniline

ethane;4-methoxy-N,3-dimethylaniline (PubChem CID 142876075) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;4-methoxy-N,3-dimethylaniline.

Molecular Properties

Compound Nameethane;4-methoxy-N,3-dimethylaniline
PubChem CID142876075
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameethane;4-methoxy-N,3-dimethylaniline
SMILESCC.CNc1ccc(OC)c(C)c1
InChIInChI=1S/C9H13NO.C2H6/c1-7-6-8(10-2)4-5-9(7)11-3;1-2/h4-6,10H,1-3H3;1-2H3
InChIKeyFGGLTQCERYRFOQ-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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4-[(4-methoxy-3-methylphenyl)-(4-methoxyphenyl)methyl]-N-methylaniline
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N,3-dimethyl-4-phenoxyaniline
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CID 116962460
4-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methylaniline
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CID 171103061
CID 171103061
N-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine
CID 163936403
4-methoxy-3-methyl-N-prop-2-enylaniline
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Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-N,3-dimethylaniline?
The IUPAC name of ethane;4-methoxy-N,3-dimethylaniline (CID 142876075) is ethane;4-methoxy-N,3-dimethylaniline.
What is the SMILES notation for ethane;4-methoxy-N,3-dimethylaniline?
The canonical SMILES for ethane;4-methoxy-N,3-dimethylaniline is CC.CNc1ccc(OC)c(C)c1.
What is the InChIKey of ethane;4-methoxy-N,3-dimethylaniline?
The InChIKey is FGGLTQCERYRFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-7-6-8(10-2)4-5-9(7)11-3;1-2/h4-6,10H,1-3H3;1-2H3.
What are the key properties of ethane;4-methoxy-N,3-dimethylaniline?
ethane;4-methoxy-N,3-dimethylaniline has a molecular weight of 181.28 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-N,3-dimethylaniline is sourced from PubChem (CID 142876075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).