2-[2-(4-methoxyphenyl)ethylamino]ethyl carbamate

C12H18N2O3 — CID 83210163

IUPAC2-[2-(4-methoxyphenyl)ethylamino]ethyl carbamate
SMILESCOc1ccc(CCNCCOC(N)=O)cc1
InChIInChI=1S/C12H18N2O3/c1-16-11-4-2-10(3-5-11)6-7-14-8-9-17-12(13)15/h2-5,14H,6-9H2,1H3,(H2,13,15)
InChIKeyXPKIPZNJPQMHMG-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.92
Rot. Bonds7

About 2-[2-(4-methoxyphenyl)ethylamino]ethyl carbamate

2-[2-(4-methoxyphenyl)ethylamino]ethyl carbamate (PubChem CID 83210163) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethylamino]ethyl carbamate
PubChem CID83210163
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[2-(4-methoxyphenyl)ethylamino]ethyl carbamate
SMILESCOc1ccc(CCNCCOC(N)=O)cc1
InChIInChI=1S/C12H18N2O3/c1-16-11-4-2-10(3-5-11)6-7-14-8-9-17-12(13)15/h2-5,14H,6-9H2,1H3,(H2,13,15)
InChIKeyXPKIPZNJPQMHMG-UHFFFAOYSA-N
XLogP0.92
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine
CID 43387940
2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl carbamate
CID 83209205
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003
ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate
CID 28574259
N-[2-(2-chloroethoxy)ethyl]-2-(4-methoxyphenyl)ethanamine
CID 65446138
N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine
CID 114505272
N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
CID 23394676
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 65447103
N-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025890
3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide
CID 28574208
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
2-[2-(4-methoxyphenyl)ethylamino]-N-propylacetamide
CID 28574182

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethylamino]ethyl carbamate?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethylamino]ethyl carbamate (CID 83210163) is 2-[2-(4-methoxyphenyl)ethylamino]ethyl carbamate.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethylamino]ethyl carbamate?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethylamino]ethyl carbamate is COc1ccc(CCNCCOC(N)=O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethylamino]ethyl carbamate?
The InChIKey is XPKIPZNJPQMHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-16-11-4-2-10(3-5-11)6-7-14-8-9-17-12(13)15/h2-5,14H,6-9H2,1H3,(H2,13,15).
What are the key properties of 2-[2-(4-methoxyphenyl)ethylamino]ethyl carbamate?
2-[2-(4-methoxyphenyl)ethylamino]ethyl carbamate has a molecular weight of 238.29 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethylamino]ethyl carbamate is sourced from PubChem (CID 83210163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).