(2-amino-4-methylphenyl) methyl carbonate

C9H11NO3 — CID 130705115

IUPAC(2-amino-4-methylphenyl) methyl carbonate
SMILESCOC(=O)Oc1ccc(C)cc1N
InChIInChI=1S/C9H11NO3/c1-6-3-4-8(7(10)5-6)13-9(11)12-2/h3-5H,10H2,1-2H3
InChIKeyAXNLBQFMMGQWON-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.72
Rot. Bonds1

About (2-amino-4-methylphenyl) methyl carbonate

(2-amino-4-methylphenyl) methyl carbonate (PubChem CID 130705115) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is (2-amino-4-methylphenyl) methyl carbonate.

Molecular Properties

Compound Name(2-amino-4-methylphenyl) methyl carbonate
PubChem CID130705115
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(2-amino-4-methylphenyl) methyl carbonate
SMILESCOC(=O)Oc1ccc(C)cc1N
InChIInChI=1S/C9H11NO3/c1-6-3-4-8(7(10)5-6)13-9(11)12-2/h3-5H,10H2,1-2H3
InChIKeyAXNLBQFMMGQWON-UHFFFAOYSA-N
XLogP1.72
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307778
2-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide
CID 61313403
(2-amino-4-methoxycarbonyloxy-6-methylnaphthalen-1-yl) 2-methylprop-2-enoate
CID 163406991
2-(2-amino-4-methylphenoxy)-N-pentan-3-ylacetamide
CID 54957008
2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 61313803
methyl 2-(2-formyl-5-methylphenoxy)propanoate
CID 23286419
methyl 2-(2-amino-4-methylanilino)propanoate
CID 61499476
(2,4-dimethylphenyl) 2-methoxyethyl carbonate
CID 118088611
methyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate
CID 20661198
2-(2-amino-4-methylphenoxy)-N-butan-2-ylacetamide
CID 61311273
2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylpropan-1-one
CID 61312232
2-(2-amino-4-methylphenoxy)-1-thiophen-2-ylpropan-1-one
CID 46307919

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methylphenyl) methyl carbonate?
The IUPAC name of (2-amino-4-methylphenyl) methyl carbonate (CID 130705115) is (2-amino-4-methylphenyl) methyl carbonate.
What is the SMILES notation for (2-amino-4-methylphenyl) methyl carbonate?
The canonical SMILES for (2-amino-4-methylphenyl) methyl carbonate is COC(=O)Oc1ccc(C)cc1N.
What is the InChIKey of (2-amino-4-methylphenyl) methyl carbonate?
The InChIKey is AXNLBQFMMGQWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-3-4-8(7(10)5-6)13-9(11)12-2/h3-5H,10H2,1-2H3.
What are the key properties of (2-amino-4-methylphenyl) methyl carbonate?
(2-amino-4-methylphenyl) methyl carbonate has a molecular weight of 181.19 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methylphenyl) methyl carbonate is sourced from PubChem (CID 130705115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).