5-(1-methoxyethyl)-2-methylaniline

C10H15NO — CID 102569795

IUPAC5-(1-methoxyethyl)-2-methylaniline
SMILESCOC(C)c1ccc(C)c(N)c1
InChIInChI=1S/C10H15NO/c1-7-4-5-9(6-10(7)11)8(2)12-3/h4-6,8H,11H2,1-3H3
InChIKeyOXVRBSAXGSJZAF-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.28
Rot. Bonds2

About 5-(1-methoxyethyl)-2-methylaniline

5-(1-methoxyethyl)-2-methylaniline (PubChem CID 102569795) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-(1-methoxyethyl)-2-methylaniline.

Molecular Properties

Compound Name5-(1-methoxyethyl)-2-methylaniline
PubChem CID102569795
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name5-(1-methoxyethyl)-2-methylaniline
SMILESCOC(C)c1ccc(C)c(N)c1
InChIInChI=1S/C10H15NO/c1-7-4-5-9(6-10(7)11)8(2)12-3/h4-6,8H,11H2,1-3H3
InChIKeyOXVRBSAXGSJZAF-UHFFFAOYSA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.28
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

4-(1-methoxyethyl)-2-methylaniline
CID 123996118
2-methyl-5-propan-2-ylaniline;hydrochloride
CID 70565459
5-(1-fluoroethyl)-2-methylaniline
CID 84649805
4-(1-methoxyethyl)-2-methylphenol
CID 142839591
5-(1-amino-2-methoxyethyl)-2-methylaniline
CID 55293794
(R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804028
5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 79614402
(1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol
CID 59964195
1-(3-amino-4-methylphenyl)-1-chloropropan-2-one
CID 118815436
4-[(1R)-1-methoxyethyl]benzenethiol
CID 124500513
1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol
CID 82071614
4-methylbenzene-1,3-diamine
CID 159171817

Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxyethyl)-2-methylaniline?
The IUPAC name of 5-(1-methoxyethyl)-2-methylaniline (CID 102569795) is 5-(1-methoxyethyl)-2-methylaniline.
What is the SMILES notation for 5-(1-methoxyethyl)-2-methylaniline?
The canonical SMILES for 5-(1-methoxyethyl)-2-methylaniline is COC(C)c1ccc(C)c(N)c1.
What is the InChIKey of 5-(1-methoxyethyl)-2-methylaniline?
The InChIKey is OXVRBSAXGSJZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-4-5-9(6-10(7)11)8(2)12-3/h4-6,8H,11H2,1-3H3.
What are the key properties of 5-(1-methoxyethyl)-2-methylaniline?
5-(1-methoxyethyl)-2-methylaniline has a molecular weight of 165.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxyethyl)-2-methylaniline is sourced from PubChem (CID 102569795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).