ethyl N-[(3-amino-4-methylphenyl)methyl]carbamate

C11H16N2O2 — CID 58780499

IUPACethyl N-[(3-amino-4-methylphenyl)methyl]carbamate
SMILESCCOC(=O)NCc1ccc(C)c(N)c1
InChIInChI=1S/C11H16N2O2/c1-3-15-11(14)13-7-9-5-4-8(2)10(12)6-9/h4-6H,3,7,12H2,1-2H3,(H,13,14)
InChIKeyQLCALXXJKBFGOI-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.82
Rot. Bonds3

About ethyl N-[(3-amino-4-methylphenyl)methyl]carbamate

ethyl N-[(3-amino-4-methylphenyl)methyl]carbamate (PubChem CID 58780499) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl N-[(3-amino-4-methylphenyl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3-amino-4-methylphenyl)methyl]carbamate
PubChem CID58780499
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethyl N-[(3-amino-4-methylphenyl)methyl]carbamate
SMILESCCOC(=O)NCc1ccc(C)c(N)c1
InChIInChI=1S/C11H16N2O2/c1-3-15-11(14)13-7-9-5-4-8(2)10(12)6-9/h4-6H,3,7,12H2,1-2H3,(H,13,14)
InChIKeyQLCALXXJKBFGOI-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(3,4-diaminophenyl)methyl]carbamate
CID 130366044
benzene;ethyl N-benzylcarbamate
CID 67715166
ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate
CID 142192151
ethyl N-[2-(3,4-dimethylphenyl)ethyl]carbamate
CID 110787279
ethyl N-[(4-phenylphenyl)methyl]carbamate
CID 90935573
prop-2-enyl N-[(3-bromo-4-methylphenyl)methyl]carbamate
CID 155887479
ethyl N-(1H-indol-5-ylmethyl)carbamate
CID 59248610
ethyl N-[(4-carbamothioylphenyl)methyl]carbamate
CID 62311623
ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603
ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate
CID 110479362
ethyl N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)carbamate
CID 110786963
ethyl N-[2-(4-methylphenyl)ethyl]carbamate
CID 22253656

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3-amino-4-methylphenyl)methyl]carbamate?
The IUPAC name of ethyl N-[(3-amino-4-methylphenyl)methyl]carbamate (CID 58780499) is ethyl N-[(3-amino-4-methylphenyl)methyl]carbamate.
What is the SMILES notation for ethyl N-[(3-amino-4-methylphenyl)methyl]carbamate?
The canonical SMILES for ethyl N-[(3-amino-4-methylphenyl)methyl]carbamate is CCOC(=O)NCc1ccc(C)c(N)c1.
What is the InChIKey of ethyl N-[(3-amino-4-methylphenyl)methyl]carbamate?
The InChIKey is QLCALXXJKBFGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-15-11(14)13-7-9-5-4-8(2)10(12)6-9/h4-6H,3,7,12H2,1-2H3,(H,13,14).
What are the key properties of ethyl N-[(3-amino-4-methylphenyl)methyl]carbamate?
ethyl N-[(3-amino-4-methylphenyl)methyl]carbamate has a molecular weight of 208.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3-amino-4-methylphenyl)methyl]carbamate is sourced from PubChem (CID 58780499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).