[3-(2-aminopropan-2-yl)phenyl] N-methylcarbamate;iodomethane

C12H19IN2O2 — CID 23621749

IUPAC[3-(2-aminopropan-2-yl)phenyl] N-methylcarbamate;iodomethane
SMILESCI.CNC(=O)Oc1cccc(C(C)(C)N)c1
InChIInChI=1S/C11H16N2O2.CH3I/c1-11(2,12)8-5-4-6-9(7-8)15-10(14)13-3;1-2/h4-7H,12H2,1-3H3,(H,13,14);1H3
InChIKeyUJGCNXJWOQNTHW-UHFFFAOYSA-N
MW350.20 g/mol
LogP2.65
Rot. Bonds2

About [3-(2-aminopropan-2-yl)phenyl] N-methylcarbamate;iodomethane

[3-(2-aminopropan-2-yl)phenyl] N-methylcarbamate;iodomethane (PubChem CID 23621749) has the molecular formula C12H19IN2O2 and a molecular weight of 350.20 g/mol. Its IUPAC name is [3-(2-aminopropan-2-yl)phenyl] N-methylcarbamate;iodomethane.

Molecular Properties

Compound Name[3-(2-aminopropan-2-yl)phenyl] N-methylcarbamate;iodomethane
PubChem CID23621749
Molecular FormulaC12H19IN2O2
Molecular Weight350.20 g/mol
Exact Mass350.05
IUPAC Name[3-(2-aminopropan-2-yl)phenyl] N-methylcarbamate;iodomethane
SMILESCI.CNC(=O)Oc1cccc(C(C)(C)N)c1
InChIInChI=1S/C11H16N2O2.CH3I/c1-11(2,12)8-5-4-6-9(7-8)15-10(14)13-3;1-2/h4-7H,12H2,1-3H3,(H,13,14);1H3
InChIKeyUJGCNXJWOQNTHW-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(3-isocyanophenyl) N-methylcarbamate
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Frequently Asked Questions

What is the IUPAC name of [3-(2-aminopropan-2-yl)phenyl] N-methylcarbamate;iodomethane?
The IUPAC name of [3-(2-aminopropan-2-yl)phenyl] N-methylcarbamate;iodomethane (CID 23621749) is [3-(2-aminopropan-2-yl)phenyl] N-methylcarbamate;iodomethane.
What is the SMILES notation for [3-(2-aminopropan-2-yl)phenyl] N-methylcarbamate;iodomethane?
The canonical SMILES for [3-(2-aminopropan-2-yl)phenyl] N-methylcarbamate;iodomethane is CI.CNC(=O)Oc1cccc(C(C)(C)N)c1.
What is the InChIKey of [3-(2-aminopropan-2-yl)phenyl] N-methylcarbamate;iodomethane?
The InChIKey is UJGCNXJWOQNTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.CH3I/c1-11(2,12)8-5-4-6-9(7-8)15-10(14)13-3;1-2/h4-7H,12H2,1-3H3,(H,13,14);1H3.
What are the key properties of [3-(2-aminopropan-2-yl)phenyl] N-methylcarbamate;iodomethane?
[3-(2-aminopropan-2-yl)phenyl] N-methylcarbamate;iodomethane has a molecular weight of 350.20 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminopropan-2-yl)phenyl] N-methylcarbamate;iodomethane is sourced from PubChem (CID 23621749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).