2-methoxyaniline;4-methylaniline

C14H18N2O — CID 159047028

IUPAC2-methoxyaniline;4-methylaniline
SMILESCOc1ccccc1N.Cc1ccc(N)cc1
InChIInChI=1S/C7H9NO.C7H9N/c1-9-7-5-3-2-4-6(7)8;1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3;2-5H,8H2,1H3
InChIKeyJWUBBFGSCTWMHM-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.85
Rot. Bonds1

About 2-methoxyaniline;4-methylaniline

2-methoxyaniline;4-methylaniline (PubChem CID 159047028) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methoxyaniline;4-methylaniline.

Molecular Properties

Compound Name2-methoxyaniline;4-methylaniline
PubChem CID159047028
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-methoxyaniline;4-methylaniline
SMILESCOc1ccccc1N.Cc1ccc(N)cc1
InChIInChI=1S/C7H9NO.C7H9N/c1-9-7-5-3-2-4-6(7)8;1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3;2-5H,8H2,1H3
InChIKeyJWUBBFGSCTWMHM-UHFFFAOYSA-N
XLogP2.85
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-methoxyaniline;dihydrochloride
CID 69020746
2-methoxyaniline;titanium;trihydrochloride
CID 174872226
4-methylaniline;2-tetradecoxyaniline
CID 158200068
4-(2-methoxyphenyl)aniline;molecular nitrogen
CID 70114722
N,N-dideuterio-2-methoxyaniline
CID 100982706
4-methylaniline;trihydrofluoride
CID 70169513
4-methylaniline trifluoride
CID 22627679
2-[2-(4-methylphenoxy)ethoxy]aniline
CID 23010232
2-(trideuteriomethoxy)aniline;hydrochloride
CID 102565201
2,3-dihydroxybutanedioic acid;2-methoxyaniline
CID 175318404
CID 173375065
CID 173375065
2-(2-aminophenoxy)peroxyaniline
CID 15807265

Frequently Asked Questions

What is the IUPAC name of 2-methoxyaniline;4-methylaniline?
The IUPAC name of 2-methoxyaniline;4-methylaniline (CID 159047028) is 2-methoxyaniline;4-methylaniline.
What is the SMILES notation for 2-methoxyaniline;4-methylaniline?
The canonical SMILES for 2-methoxyaniline;4-methylaniline is COc1ccccc1N.Cc1ccc(N)cc1.
What is the InChIKey of 2-methoxyaniline;4-methylaniline?
The InChIKey is JWUBBFGSCTWMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.C7H9N/c1-9-7-5-3-2-4-6(7)8;1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3;2-5H,8H2,1H3.
What are the key properties of 2-methoxyaniline;4-methylaniline?
2-methoxyaniline;4-methylaniline has a molecular weight of 230.31 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyaniline;4-methylaniline is sourced from PubChem (CID 159047028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).