(4-amino-3-methylphenyl) N-methylcarbamate

C9H12N2O2 — CID 25072

IUPAC(4-amino-3-methylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc(N)c(C)c1
InChIInChI=1S/C9H12N2O2/c1-6-5-7(3-4-8(6)10)13-9(12)11-2/h3-5H,10H2,1-2H3,(H,11,12)
InChIKeyOCYWBKLVMHFSSX-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.30
Rot. Bonds1

About (4-amino-3-methylphenyl) N-methylcarbamate

(4-amino-3-methylphenyl) N-methylcarbamate (PubChem CID 25072) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (4-amino-3-methylphenyl) N-methylcarbamate.

Molecular Properties

Compound Name(4-amino-3-methylphenyl) N-methylcarbamate
PubChem CID25072
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(4-amino-3-methylphenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc(N)c(C)c1
InChIInChI=1S/C9H12N2O2/c1-6-5-7(3-4-8(6)10)13-9(12)11-2/h3-5H,10H2,1-2H3,(H,11,12)
InChIKeyOCYWBKLVMHFSSX-UHFFFAOYSA-N
XLogP1.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylphenyl) N-methylcarbamate?
The IUPAC name of (4-amino-3-methylphenyl) N-methylcarbamate (CID 25072) is (4-amino-3-methylphenyl) N-methylcarbamate.
What is the SMILES notation for (4-amino-3-methylphenyl) N-methylcarbamate?
The canonical SMILES for (4-amino-3-methylphenyl) N-methylcarbamate is CNC(=O)Oc1ccc(N)c(C)c1.
What is the InChIKey of (4-amino-3-methylphenyl) N-methylcarbamate?
The InChIKey is OCYWBKLVMHFSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-5-7(3-4-8(6)10)13-9(12)11-2/h3-5H,10H2,1-2H3,(H,11,12).
What are the key properties of (4-amino-3-methylphenyl) N-methylcarbamate?
(4-amino-3-methylphenyl) N-methylcarbamate has a molecular weight of 180.21 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylphenyl) N-methylcarbamate is sourced from PubChem (CID 25072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).