[1-(2-amino-4-methylphenyl)-2-methylpropan-2-yl] carbamate

C12H18N2O2 — CID 151911054

IUPAC[1-(2-amino-4-methylphenyl)-2-methylpropan-2-yl] carbamate
SMILESCc1ccc(CC(C)(C)OC(N)=O)c(N)c1
InChIInChI=1S/C12H18N2O2/c1-8-4-5-9(10(13)6-8)7-12(2,3)16-11(14)15/h4-6H,7,13H2,1-3H3,(H2,14,15)
InChIKeySUTVIQWKRQDNNH-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.99
Rot. Bonds3

About [1-(2-amino-4-methylphenyl)-2-methylpropan-2-yl] carbamate

[1-(2-amino-4-methylphenyl)-2-methylpropan-2-yl] carbamate (PubChem CID 151911054) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [1-(2-amino-4-methylphenyl)-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-(2-amino-4-methylphenyl)-2-methylpropan-2-yl] carbamate
PubChem CID151911054
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[1-(2-amino-4-methylphenyl)-2-methylpropan-2-yl] carbamate
SMILESCc1ccc(CC(C)(C)OC(N)=O)c(N)c1
InChIInChI=1S/C12H18N2O2/c1-8-4-5-9(10(13)6-8)7-12(2,3)16-11(14)15/h4-6H,7,13H2,1-3H3,(H2,14,15)
InChIKeySUTVIQWKRQDNNH-UHFFFAOYSA-N
XLogP1.99
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.99
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 [1-(2-amino-4-methylphenyl)-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-(2-amino-4-methylphenyl)-2-methylpropan-2-yl] carbamate (CID 151911054) is [1-(2-amino-4-methylphenyl)-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-(2-amino-4-methylphenyl)-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-(2-amino-4-methylphenyl)-2-methylpropan-2-yl] carbamate is Cc1ccc(CC(C)(C)OC(N)=O)c(N)c1.
What is the InChIKey of [1-(2-amino-4-methylphenyl)-2-methylpropan-2-yl] carbamate?
The InChIKey is SUTVIQWKRQDNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-4-5-9(10(13)6-8)7-12(2,3)16-11(14)15/h4-6H,7,13H2,1-3H3,(H2,14,15).
What are the key properties of [1-(2-amino-4-methylphenyl)-2-methylpropan-2-yl] carbamate?
[1-(2-amino-4-methylphenyl)-2-methylpropan-2-yl] carbamate has a molecular weight of 222.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-4-methylphenyl)-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 151911054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).