(4-aminophenyl)methyl carbamate

C8H10N2O2 — CID 22569099

IUPAC(4-aminophenyl)methyl carbamate
SMILESNC(=O)OCc1ccc(N)cc1
InChIInChI=1S/C8H10N2O2/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4H,5,9H2,(H2,10,11)
InChIKeyBQQGAGGSEMLWRS-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.86
Rot. Bonds2

About (4-aminophenyl)methyl carbamate

(4-aminophenyl)methyl carbamate (PubChem CID 22569099) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (4-aminophenyl)methyl carbamate.

Molecular Properties

Compound Name(4-aminophenyl)methyl carbamate
PubChem CID22569099
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(4-aminophenyl)methyl carbamate
SMILESNC(=O)OCc1ccc(N)cc1
InChIInChI=1S/C8H10N2O2/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4H,5,9H2,(H2,10,11)
InChIKeyBQQGAGGSEMLWRS-UHFFFAOYSA-N
XLogP0.86
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.86
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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Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)methyl carbamate?
The IUPAC name of (4-aminophenyl)methyl carbamate (CID 22569099) is (4-aminophenyl)methyl carbamate.
What is the SMILES notation for (4-aminophenyl)methyl carbamate?
The canonical SMILES for (4-aminophenyl)methyl carbamate is NC(=O)OCc1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl)methyl carbamate?
The InChIKey is BQQGAGGSEMLWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4H,5,9H2,(H2,10,11).
What are the key properties of (4-aminophenyl)methyl carbamate?
(4-aminophenyl)methyl carbamate has a molecular weight of 166.18 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)methyl carbamate is sourced from PubChem (CID 22569099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).