methyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate

C11H16N2O2 — CID 43551139

IUPACmethyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate
SMILESCOC(=O)N(C)C(C)c1cccc(N)c1
InChIInChI=1S/C11H16N2O2/c1-8(13(2)11(14)15-3)9-5-4-6-10(12)7-9/h4-8H,12H2,1-3H3
InChIKeyBCZUBDWXLYVYIW-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.03
Rot. Bonds2

About methyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate

methyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate (PubChem CID 43551139) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate
PubChem CID43551139
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namemethyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate
SMILESCOC(=O)N(C)C(C)c1cccc(N)c1
InChIInChI=1S/C11H16N2O2/c1-8(13(2)11(14)15-3)9-5-4-6-10(12)7-9/h4-8H,12H2,1-3H3
InChIKeyBCZUBDWXLYVYIW-UHFFFAOYSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-aminophenyl)ethyl]-2-methoxy-N-methylacetamide
CID 61278164
N-[1-(3-aminophenyl)ethyl]-2-ethoxy-N-methylacetamide
CID 43549185
N-[1-(3-aminophenyl)ethyl]-4-methoxy-N-methylbutanamide
CID 78984491
2-(3-aminophenyl)-N-methoxy-N-methylpropanamide
CID 106590965
methyl N-[1-(3-aminophenyl)ethyl-methylsulfamoyl]carbamate
CID 114461600
1-[1-(3-aminophenyl)ethyl]-3-butyl-1-methylurea
CID 43551136
N-[1-(3-aminophenyl)ethyl]-2,3-dichloro-N-methylbenzamide
CID 43549226
N-[1-(3-aminophenyl)ethyl]-N-methylfuran-3-carboxamide
CID 43549249
N-[1-(3-aminophenyl)ethyl]-2,5-difluoro-N-methylbenzamide
CID 43549195
N-[1-(3-aminophenyl)ethyl]-2,4-dibromo-N-methylbenzamide
CID 107937424
N-[1-(3-aminophenyl)ethyl]-2-cycloheptyl-N-methylacetamide
CID 114457037
3-(3-aminophenyl)-1-[1-(3-chlorophenyl)ethyl]-1-methylurea
CID 62985968

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate?
The IUPAC name of methyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate (CID 43551139) is methyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate is COC(=O)N(C)C(C)c1cccc(N)c1.
What is the InChIKey of methyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate?
The InChIKey is BCZUBDWXLYVYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(13(2)11(14)15-3)9-5-4-6-10(12)7-9/h4-8H,12H2,1-3H3.
What are the key properties of methyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate?
methyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate has a molecular weight of 208.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate is sourced from PubChem (CID 43551139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).