2-[1-(3-methoxyphenyl)ethylamino]ethyl carbamate

C12H18N2O3 — CID 83210619

IUPAC2-[1-(3-methoxyphenyl)ethylamino]ethyl carbamate
SMILESCOc1cccc(C(C)NCCOC(N)=O)c1
InChIInChI=1S/C12H18N2O3/c1-9(14-6-7-17-12(13)15)10-4-3-5-11(8-10)16-2/h3-5,8-9,14H,6-7H2,1-2H3,(H2,13,15)
InChIKeyQKUNVFHRXNPFOC-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.44
Rot. Bonds6

About 2-[1-(3-methoxyphenyl)ethylamino]ethyl carbamate

2-[1-(3-methoxyphenyl)ethylamino]ethyl carbamate (PubChem CID 83210619) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)ethylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)ethylamino]ethyl carbamate
PubChem CID83210619
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[1-(3-methoxyphenyl)ethylamino]ethyl carbamate
SMILESCOc1cccc(C(C)NCCOC(N)=O)c1
InChIInChI=1S/C12H18N2O3/c1-9(14-6-7-17-12(13)15)10-4-3-5-11(8-10)16-2/h3-5,8-9,14H,6-7H2,1-2H3,(H2,13,15)
InChIKeyQKUNVFHRXNPFOC-UHFFFAOYSA-N
XLogP1.44
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.44
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

(1S)-N-[2-(4-methoxyphenoxy)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 95972955
4-[1-(3-methoxyphenyl)ethylamino]butanoic acid
CID 54920471
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210959
3-[1-(3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934760
2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl carbamate
CID 83210108
2-[1-(2,4-dimethoxyphenyl)ethylamino]ethyl carbamate
CID 83211772
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
2-(2-methoxyethylamino)-2-(3-methoxyphenyl)acetamide
CID 55084492
N-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide
CID 115676858
4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N,N-dimethylbutanamide
CID 81372994
3-[1-(3-methoxyphenyl)ethylamino]propane-1-sulfinic acid
CID 143275367
butyl 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetate
CID 81373195

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)ethylamino]ethyl carbamate?
The IUPAC name of 2-[1-(3-methoxyphenyl)ethylamino]ethyl carbamate (CID 83210619) is 2-[1-(3-methoxyphenyl)ethylamino]ethyl carbamate.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)ethylamino]ethyl carbamate?
The canonical SMILES for 2-[1-(3-methoxyphenyl)ethylamino]ethyl carbamate is COc1cccc(C(C)NCCOC(N)=O)c1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)ethylamino]ethyl carbamate?
The InChIKey is QKUNVFHRXNPFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(14-6-7-17-12(13)15)10-4-3-5-11(8-10)16-2/h3-5,8-9,14H,6-7H2,1-2H3,(H2,13,15).
What are the key properties of 2-[1-(3-methoxyphenyl)ethylamino]ethyl carbamate?
2-[1-(3-methoxyphenyl)ethylamino]ethyl carbamate has a molecular weight of 238.29 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxyphenyl)ethylamino]ethyl carbamate is sourced from PubChem (CID 83210619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).