(4-aminophenyl) formate;4-methoxyaniline

C14H16N2O3 — CID 145416787

IUPAC(4-aminophenyl) formate;4-methoxyaniline
SMILESCOc1ccc(N)cc1.Nc1ccc(OC=O)cc1
InChIInChI=1S/C7H7NO2.C7H9NO/c8-6-1-3-7(4-2-6)10-5-9;1-9-7-4-2-6(8)3-5-7/h1-5H,8H2;2-5H,8H2,1H3
InChIKeyGEVDNJXNJOUECK-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.08
Rot. Bonds3

About (4-aminophenyl) formate;4-methoxyaniline

(4-aminophenyl) formate;4-methoxyaniline (PubChem CID 145416787) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (4-aminophenyl) formate;4-methoxyaniline.

Molecular Properties

Compound Name(4-aminophenyl) formate;4-methoxyaniline
PubChem CID145416787
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(4-aminophenyl) formate;4-methoxyaniline
SMILESCOc1ccc(N)cc1.Nc1ccc(OC=O)cc1
InChIInChI=1S/C7H7NO2.C7H9NO/c8-6-1-3-7(4-2-6)10-5-9;1-9-7-4-2-6(8)3-5-7/h1-5H,8H2;2-5H,8H2,1H3
InChIKeyGEVDNJXNJOUECK-UHFFFAOYSA-N
XLogP2.08
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methoxyphenoxy)phenyl] formate
CID 88935611
4-methoxyaniline;hydrobromide
CID 518270
ethane;4-methoxyaniline
CID 144603339
benzaldehyde;4-methoxyaniline
CID 159915454
4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane
CID 145450258
4-[1-(4-methoxyphenyl)ethyl]aniline
CID 11644284
4-[(4-methoxyphenyl)methylsulfinyl]aniline
CID 61368872
(4-tert-butylphenyl) formate
CID 15727718
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
(2,4-dimethoxyphenyl) formate
CID 11137749
[4-(dimethylamino)phenyl] formate
CID 54158989
[3-[3-(4-methoxyphenyl)-2-oxoimidazolidin-1-yl]phenyl] formate
CID 58156920

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl) formate;4-methoxyaniline?
The IUPAC name of (4-aminophenyl) formate;4-methoxyaniline (CID 145416787) is (4-aminophenyl) formate;4-methoxyaniline.
What is the SMILES notation for (4-aminophenyl) formate;4-methoxyaniline?
The canonical SMILES for (4-aminophenyl) formate;4-methoxyaniline is COc1ccc(N)cc1.Nc1ccc(OC=O)cc1.
What is the InChIKey of (4-aminophenyl) formate;4-methoxyaniline?
The InChIKey is GEVDNJXNJOUECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C7H9NO/c8-6-1-3-7(4-2-6)10-5-9;1-9-7-4-2-6(8)3-5-7/h1-5H,8H2;2-5H,8H2,1H3.
What are the key properties of (4-aminophenyl) formate;4-methoxyaniline?
(4-aminophenyl) formate;4-methoxyaniline has a molecular weight of 260.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl) formate;4-methoxyaniline is sourced from PubChem (CID 145416787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).