2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate

C13H20N2O4 — CID 83211772

IUPAC2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate
SMILESCOc1ccc(C(C)NCCOC(N)=O)c(OC)c1
InChIInChI=1S/C13H20N2O4/c1-9(15-6-7-19-13(14)16)11-5-4-10(17-2)8-12(11)18-3/h4-5,8-9,15H,6-7H2,1-3H3,(H2,14,16)
InChIKeyHLADOUZPVWAJOA-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.45
Rot. Bonds7

About 2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate

2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate (PubChem CID 83211772) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate
PubChem CID83211772
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate
SMILESCOc1ccc(C(C)NCCOC(N)=O)c(OC)c1
InChIInChI=1S/C13H20N2O4/c1-9(15-6-7-19-13(14)16)11-5-4-10(17-2)8-12(11)18-3/h4-5,8-9,15H,6-7H2,1-3H3,(H2,14,16)
InChIKeyHLADOUZPVWAJOA-UHFFFAOYSA-N
XLogP1.45
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl carbamate
CID 83210108
4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol
CID 64910690
N-[2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706429
3-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide
CID 43400395
3-[1-(2,4-dimethoxyphenyl)ethylamino]propanenitrile
CID 43207694
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210959
(E)-N-[1-(2,4-dimethoxyphenyl)ethyl]pent-3-en-1-amine
CID 113348558
2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanamide
CID 61218248
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 102551497
N-[1-(2,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776970
N-[1-(2,4-dimethoxyphenyl)ethyl]but-2-yn-1-amine
CID 115896882
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine
CID 113303579

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate?
The IUPAC name of 2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate (CID 83211772) is 2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate.
What is the SMILES notation for 2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate?
The canonical SMILES for 2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate is COc1ccc(C(C)NCCOC(N)=O)c(OC)c1.
What is the InChIKey of 2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate?
The InChIKey is HLADOUZPVWAJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9(15-6-7-19-13(14)16)11-5-4-10(17-2)8-12(11)18-3/h4-5,8-9,15H,6-7H2,1-3H3,(H2,14,16).
What are the key properties of 2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate?
2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate has a molecular weight of 268.31 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate is sourced from PubChem (CID 83211772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).