1-(N-methylanilino)ethyl (4-methylphenyl) carbonate

C17H19NO3 — CID 70631980

IUPAC1-(N-methylanilino)ethyl (4-methylphenyl) carbonate
SMILESCc1ccc(OC(=O)OC(C)N(C)c2ccccc2)cc1
InChIInChI=1S/C17H19NO3/c1-13-9-11-16(12-10-13)21-17(19)20-14(2)18(3)15-7-5-4-6-8-15/h4-12,14H,1-3H3
InChIKeyDALWFTZGSVNNLZ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.99
Rot. Bonds4

About 1-(N-methylanilino)ethyl (4-methylphenyl) carbonate

1-(N-methylanilino)ethyl (4-methylphenyl) carbonate (PubChem CID 70631980) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-(N-methylanilino)ethyl (4-methylphenyl) carbonate.

Molecular Properties

Compound Name1-(N-methylanilino)ethyl (4-methylphenyl) carbonate
PubChem CID70631980
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name1-(N-methylanilino)ethyl (4-methylphenyl) carbonate
SMILESCc1ccc(OC(=O)OC(C)N(C)c2ccccc2)cc1
InChIInChI=1S/C17H19NO3/c1-13-9-11-16(12-10-13)21-17(19)20-14(2)18(3)15-7-5-4-6-8-15/h4-12,14H,1-3H3
InChIKeyDALWFTZGSVNNLZ-UHFFFAOYSA-N
XLogP3.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

(3-chlorophenyl) 1-(N-methylanilino)ethyl carbonate
CID 70632052
1-(3-ethoxy-N-methylanilino)ethyl phenyl carbonate
CID 70631943
1-(N-methylanilino)ethyl (2-propan-2-ylphenyl) carbonate
CID 70631899
[(4-methylphenyl)-phenylmethyl] phenyl carbonate
CID 23655369
1-[N-(1-methoxyethyl)anilino]ethyl phenyl carbonate
CID 21419953
bis(4-methylphenyl) carbonate;ethane
CID 145416039
[4-(benzenesulfonyl)phenyl] 1-(N-ethylanilino)ethyl carbonate
CID 70632289
1-(N-ethylanilino)ethyl [4-(2,4,4-trimethylpentan-2-yl)phenyl] carbonate
CID 21420364
hydroxy (4-methylphenyl) carbonate
CID 142152558
benzyl (4-methylphenyl) carbonate
CID 118690287
(4-methylphenyl) hydrogen carbonate
CID 19016637
2-[4-(dimethylamino)phenoxy]-2-oxoacetic acid;toluene
CID 173323339

Frequently Asked Questions

What is the IUPAC name of 1-(N-methylanilino)ethyl (4-methylphenyl) carbonate?
The IUPAC name of 1-(N-methylanilino)ethyl (4-methylphenyl) carbonate (CID 70631980) is 1-(N-methylanilino)ethyl (4-methylphenyl) carbonate.
What is the SMILES notation for 1-(N-methylanilino)ethyl (4-methylphenyl) carbonate?
The canonical SMILES for 1-(N-methylanilino)ethyl (4-methylphenyl) carbonate is Cc1ccc(OC(=O)OC(C)N(C)c2ccccc2)cc1.
What is the InChIKey of 1-(N-methylanilino)ethyl (4-methylphenyl) carbonate?
The InChIKey is DALWFTZGSVNNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-13-9-11-16(12-10-13)21-17(19)20-14(2)18(3)15-7-5-4-6-8-15/h4-12,14H,1-3H3.
What are the key properties of 1-(N-methylanilino)ethyl (4-methylphenyl) carbonate?
1-(N-methylanilino)ethyl (4-methylphenyl) carbonate has a molecular weight of 285.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-methylanilino)ethyl (4-methylphenyl) carbonate is sourced from PubChem (CID 70631980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).