phenyl N-[3-(methylaminomethyl)phenyl]carbamate

C15H16N2O2 — CID 43602480

IUPACphenyl N-[3-(methylaminomethyl)phenyl]carbamate
SMILESCNCc1cccc(NC(=O)Oc2ccccc2)c1
InChIInChI=1S/C15H16N2O2/c1-16-11-12-6-5-7-13(10-12)17-15(18)19-14-8-3-2-4-9-14/h2-10,16H,11H2,1H3,(H,17,18)
InChIKeyWOEHLJHJDMXXAB-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.02
Rot. Bonds4

About phenyl N-[3-(methylaminomethyl)phenyl]carbamate

phenyl N-[3-(methylaminomethyl)phenyl]carbamate (PubChem CID 43602480) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is phenyl N-[3-(methylaminomethyl)phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-(methylaminomethyl)phenyl]carbamate
PubChem CID43602480
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Namephenyl N-[3-(methylaminomethyl)phenyl]carbamate
SMILESCNCc1cccc(NC(=O)Oc2ccccc2)c1
InChIInChI=1S/C15H16N2O2/c1-16-11-12-6-5-7-13(10-12)17-15(18)19-14-8-3-2-4-9-14/h2-10,16H,11H2,1H3,(H,17,18)
InChIKeyWOEHLJHJDMXXAB-UHFFFAOYSA-N
XLogP3.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(phenoxycarbonylamino)phenyl] N-methylcarbamate
CID 134105214
phenyl N-[3-(isocyanatomethyl)phenyl]carbamate
CID 71360487
(4-acetamidophenyl) N-(3-ethylphenyl)carbamate
CID 3406901
2-[carboxymethyl-[[3-(methylaminomethyl)phenyl]carbamoyl]amino]acetic acid
CID 63646129
[3-(propanoylamino)phenyl] N-phenylcarbamate
CID 57133762
2-methoxy-2-methyl-N-[3-(methylaminomethyl)phenyl]propanamide
CID 103021373
[3-(methylcarbamothioylamino)phenyl] N-phenylcarbamate
CID 160992044
2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride
CID 119441041
3-[methyl-[[3-(methylaminomethyl)phenyl]carbamoyl]amino]propanoic acid
CID 55134853
4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601985
2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601976
N-[3-(methylaminomethyl)phenyl]-2-(3-methylphenyl)acetamide
CID 62388896

Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-(methylaminomethyl)phenyl]carbamate?
The IUPAC name of phenyl N-[3-(methylaminomethyl)phenyl]carbamate (CID 43602480) is phenyl N-[3-(methylaminomethyl)phenyl]carbamate.
What is the SMILES notation for phenyl N-[3-(methylaminomethyl)phenyl]carbamate?
The canonical SMILES for phenyl N-[3-(methylaminomethyl)phenyl]carbamate is CNCc1cccc(NC(=O)Oc2ccccc2)c1.
What is the InChIKey of phenyl N-[3-(methylaminomethyl)phenyl]carbamate?
The InChIKey is WOEHLJHJDMXXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-16-11-12-6-5-7-13(10-12)17-15(18)19-14-8-3-2-4-9-14/h2-10,16H,11H2,1H3,(H,17,18).
What are the key properties of phenyl N-[3-(methylaminomethyl)phenyl]carbamate?
phenyl N-[3-(methylaminomethyl)phenyl]carbamate has a molecular weight of 256.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-(methylaminomethyl)phenyl]carbamate is sourced from PubChem (CID 43602480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).