ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate

C13H18N2O2 — CID 43460945

IUPACethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate
SMILESCCOC(=O)N(Cc1ccccc1N)C1CC1
InChIInChI=1S/C13H18N2O2/c1-2-17-13(16)15(11-7-8-11)9-10-5-3-4-6-12(10)14/h3-6,11H,2,7-9,14H2,1H3
InChIKeyXZOSLOSURLAWCE-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.39
Rot. Bonds4

About ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate

ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate (PubChem CID 43460945) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate.

Molecular Properties

Compound Nameethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate
PubChem CID43460945
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nameethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate
SMILESCCOC(=O)N(Cc1ccccc1N)C1CC1
InChIInChI=1S/C13H18N2O2/c1-2-17-13(16)15(11-7-8-11)9-10-5-3-4-6-12(10)14/h3-6,11H,2,7-9,14H2,1H3
InChIKeyXZOSLOSURLAWCE-UHFFFAOYSA-N
XLogP2.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.39
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

ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate
CID 61068925
N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide
CID 55091731
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide
CID 55102715
ethyl 2-[[2-(2-aminophenyl)acetyl]-cyclopropylamino]acetate
CID 61114412
ethyl N-cyclopropyl-N-(pyridin-2-ylmethyl)carbamate
CID 60665020
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide
CID 43460875
N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide
CID 43460892
2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-cyclopropyl-N-ethylacetamide
CID 61488701
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide
CID 61489153
N-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide
CID 43460874
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-fluorobenzamide
CID 43460915
2-[2-(2-aminophenyl)ethoxy]-N-cyclopropyl-N-ethylacetamide
CID 102902326

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate?
The IUPAC name of ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate (CID 43460945) is ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate.
What is the SMILES notation for ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate?
The canonical SMILES for ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate is CCOC(=O)N(Cc1ccccc1N)C1CC1.
What is the InChIKey of ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate?
The InChIKey is XZOSLOSURLAWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-17-13(16)15(11-7-8-11)9-10-5-3-4-6-12(10)14/h3-6,11H,2,7-9,14H2,1H3.
What are the key properties of ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate?
ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate has a molecular weight of 234.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate is sourced from PubChem (CID 43460945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).