2-(2-amino-5-methoxyanilino)ethyl carbamate

C10H15N3O3 — CID 83202729

IUPAC2-(2-amino-5-methoxyanilino)ethyl carbamate
SMILESCOc1ccc(N)c(NCCOC(N)=O)c1
InChIInChI=1S/C10H15N3O3/c1-15-7-2-3-8(11)9(6-7)13-4-5-16-10(12)14/h2-3,6,13H,4-5,11H2,1H3,(H2,12,14)
InChIKeyJVZGDFNFUSXUAZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.78
Rot. Bonds5

About 2-(2-amino-5-methoxyanilino)ethyl carbamate

2-(2-amino-5-methoxyanilino)ethyl carbamate (PubChem CID 83202729) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(2-amino-5-methoxyanilino)ethyl carbamate.

Molecular Properties

Compound Name2-(2-amino-5-methoxyanilino)ethyl carbamate
PubChem CID83202729
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-(2-amino-5-methoxyanilino)ethyl carbamate
SMILESCOc1ccc(N)c(NCCOC(N)=O)c1
InChIInChI=1S/C10H15N3O3/c1-15-7-2-3-8(11)9(6-7)13-4-5-16-10(12)14/h2-3,6,13H,4-5,11H2,1H3,(H2,12,14)
InChIKeyJVZGDFNFUSXUAZ-UHFFFAOYSA-N
XLogP0.78
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-methoxyanilino)ethylurea
CID 83116899
2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate
CID 83202470
2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine
CID 114110496
2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate
CID 83201801
4-methoxy-2-N-(4,4,4-trifluorobutyl)benzene-1,2-diamine
CID 115515270
1-(2-amino-5-methoxyanilino)-4-methoxy-2-methylbutan-2-ol
CID 106250963
2-(4-amino-3-methylanilino)ethyl carbamate
CID 83201975
methyl 5-amino-2-(2-carbamoyloxyethylamino)benzoate
CID 83203952
2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone
CID 113405856
2-N-(2,2-dimethylbutyl)-4-methoxybenzene-1,2-diamine
CID 103460178
1-[(2-amino-5-methoxyanilino)methyl]cyclohexane-1-carboxylic acid
CID 88995988
N-(2-amino-5-methoxyphenyl)-2-tert-butylsulfanylacetamide
CID 63257845

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methoxyanilino)ethyl carbamate?
The IUPAC name of 2-(2-amino-5-methoxyanilino)ethyl carbamate (CID 83202729) is 2-(2-amino-5-methoxyanilino)ethyl carbamate.
What is the SMILES notation for 2-(2-amino-5-methoxyanilino)ethyl carbamate?
The canonical SMILES for 2-(2-amino-5-methoxyanilino)ethyl carbamate is COc1ccc(N)c(NCCOC(N)=O)c1.
What is the InChIKey of 2-(2-amino-5-methoxyanilino)ethyl carbamate?
The InChIKey is JVZGDFNFUSXUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-15-7-2-3-8(11)9(6-7)13-4-5-16-10(12)14/h2-3,6,13H,4-5,11H2,1H3,(H2,12,14).
What are the key properties of 2-(2-amino-5-methoxyanilino)ethyl carbamate?
2-(2-amino-5-methoxyanilino)ethyl carbamate has a molecular weight of 225.25 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methoxyanilino)ethyl carbamate is sourced from PubChem (CID 83202729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).