ethyl N-(2-aminophenyl)-N-[2-(dimethylamino)ethyl]carbamate

C13H21N3O2 — CID 19811357

IUPACethyl N-(2-aminophenyl)-N-[2-(dimethylamino)ethyl]carbamate
SMILESCCOC(=O)N(CCN(C)C)c1ccccc1N
InChIInChI=1S/C13H21N3O2/c1-4-18-13(17)16(10-9-15(2)3)12-8-6-5-7-11(12)14/h5-8H,4,9-10,14H2,1-3H3
InChIKeyDDNLJCJJBFIGRY-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.79
Rot. Bonds5

About ethyl N-(2-aminophenyl)-N-[2-(dimethylamino)ethyl]carbamate

ethyl N-(2-aminophenyl)-N-[2-(dimethylamino)ethyl]carbamate (PubChem CID 19811357) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl N-(2-aminophenyl)-N-[2-(dimethylamino)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-(2-aminophenyl)-N-[2-(dimethylamino)ethyl]carbamate
PubChem CID19811357
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nameethyl N-(2-aminophenyl)-N-[2-(dimethylamino)ethyl]carbamate
SMILESCCOC(=O)N(CCN(C)C)c1ccccc1N
InChIInChI=1S/C13H21N3O2/c1-4-18-13(17)16(10-9-15(2)3)12-8-6-5-7-11(12)14/h5-8H,4,9-10,14H2,1-3H3
InChIKeyDDNLJCJJBFIGRY-UHFFFAOYSA-N
XLogP1.79
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate
CID 55173815
N-(2-aminophenyl)-N-propylbutanamide
CID 63230657
1-(2-aminophenyl)-3,3-diethyl-1-propylurea
CID 79154664
N-(2-aminophenyl)-N-(2-hydroxyethyl)propanamide
CID 43547811
1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea
CID 79153610
N-(2-aminophenyl)-N-ethyl-2-methoxyacetamide
CID 62100815
N-(2-aminophenyl)-N-propylbenzamide
CID 63230394
N-(2-aminophenyl)-N-ethyl-3-(2-methylphenyl)propanamide
CID 62365327
3-[2-amino-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoic acid
CID 63118555
N-(2-aminophenyl)-N-ethyl-2-(2-methylphenyl)acetamide
CID 62100818
ethyl N-(2-aminophenyl)-N-[[4-(2-cyanophenyl)phenyl]methyl]carbamate
CID 141278476
ethyl N-[2-(dimethylamino)ethyl]-N-[2-(ethoxycarbonylamino)-4-methoxyphenyl]carbamate
CID 19811385

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-aminophenyl)-N-[2-(dimethylamino)ethyl]carbamate?
The IUPAC name of ethyl N-(2-aminophenyl)-N-[2-(dimethylamino)ethyl]carbamate (CID 19811357) is ethyl N-(2-aminophenyl)-N-[2-(dimethylamino)ethyl]carbamate.
What is the SMILES notation for ethyl N-(2-aminophenyl)-N-[2-(dimethylamino)ethyl]carbamate?
The canonical SMILES for ethyl N-(2-aminophenyl)-N-[2-(dimethylamino)ethyl]carbamate is CCOC(=O)N(CCN(C)C)c1ccccc1N.
What is the InChIKey of ethyl N-(2-aminophenyl)-N-[2-(dimethylamino)ethyl]carbamate?
The InChIKey is DDNLJCJJBFIGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-18-13(17)16(10-9-15(2)3)12-8-6-5-7-11(12)14/h5-8H,4,9-10,14H2,1-3H3.
What are the key properties of ethyl N-(2-aminophenyl)-N-[2-(dimethylamino)ethyl]carbamate?
ethyl N-(2-aminophenyl)-N-[2-(dimethylamino)ethyl]carbamate has a molecular weight of 251.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-aminophenyl)-N-[2-(dimethylamino)ethyl]carbamate is sourced from PubChem (CID 19811357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).