2-(4-amino-3-methylanilino)ethyl carbamate

C10H15N3O2 — CID 83201975

IUPAC2-(4-amino-3-methylanilino)ethyl carbamate
SMILESCc1cc(NCCOC(N)=O)ccc1N
InChIInChI=1S/C10H15N3O2/c1-7-6-8(2-3-9(7)11)13-4-5-15-10(12)14/h2-3,6,13H,4-5,11H2,1H3,(H2,12,14)
InChIKeyIQWHWNGAFGQLOJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.08
Rot. Bonds4

About 2-(4-amino-3-methylanilino)ethyl carbamate

2-(4-amino-3-methylanilino)ethyl carbamate (PubChem CID 83201975) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(4-amino-3-methylanilino)ethyl carbamate.

Molecular Properties

Compound Name2-(4-amino-3-methylanilino)ethyl carbamate
PubChem CID83201975
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-(4-amino-3-methylanilino)ethyl carbamate
SMILESCc1cc(NCCOC(N)=O)ccc1N
InChIInChI=1S/C10H15N3O2/c1-7-6-8(2-3-9(7)11)13-4-5-15-10(12)14/h2-3,6,13H,4-5,11H2,1H3,(H2,12,14)
InChIKeyIQWHWNGAFGQLOJ-UHFFFAOYSA-N
XLogP1.08
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate
CID 83202387
4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine
CID 58611253
4-N-[2-[2-(4-amino-3-methylanilino)ethylamino]ethyl]-2-methylbenzene-1,4-diamine
CID 69450838
methyl 2-(4-amino-3-methylanilino)acetate
CID 43436219
4-N-(2-cyclopentyloxyethyl)-2-methylbenzene-1,4-diamine
CID 63826013
2-[(5-amino-2-fluoro-4-methylphenyl)sulfonylamino]ethyl carbamate
CID 83202296
2-(4-propanoylanilino)ethyl carbamate
CID 114066714
2-(2-amino-5-methoxyanilino)ethyl carbamate
CID 83202729
2-(4-amino-3-methylanilino)-N-methylacetamide
CID 43436351
2-[2-(4-amino-3-methylanilino)ethylamino]ethanol
CID 23104585
5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid
CID 104638978
2-[(2-methoxy-4-pyridinyl)amino]ethyl carbamate
CID 83205251

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylanilino)ethyl carbamate?
The IUPAC name of 2-(4-amino-3-methylanilino)ethyl carbamate (CID 83201975) is 2-(4-amino-3-methylanilino)ethyl carbamate.
What is the SMILES notation for 2-(4-amino-3-methylanilino)ethyl carbamate?
The canonical SMILES for 2-(4-amino-3-methylanilino)ethyl carbamate is Cc1cc(NCCOC(N)=O)ccc1N.
What is the InChIKey of 2-(4-amino-3-methylanilino)ethyl carbamate?
The InChIKey is IQWHWNGAFGQLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-6-8(2-3-9(7)11)13-4-5-15-10(12)14/h2-3,6,13H,4-5,11H2,1H3,(H2,12,14).
What are the key properties of 2-(4-amino-3-methylanilino)ethyl carbamate?
2-(4-amino-3-methylanilino)ethyl carbamate has a molecular weight of 209.25 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylanilino)ethyl carbamate is sourced from PubChem (CID 83201975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).