2-[[(1R)-1-(4-hydroxyphenyl)ethyl]-methylamino]ethyl N,N-dimethylcarbamate

C14H22N2O3 — CID 57026280

IUPAC2-[[(1R)-1-(4-hydroxyphenyl)ethyl]-methylamino]ethyl N,N-dimethylcarbamate
SMILESC[C@H](c1ccc(O)cc1)N(C)CCOC(=O)N(C)C
InChIInChI=1S/C14H22N2O3/c1-11(12-5-7-13(17)8-6-12)16(4)9-10-19-14(18)15(2)3/h5-8,11,17H,9-10H2,1-4H3/t11-/m1/s1
InChIKeyMCHQTCLXYZQXSV-LLVKDONJSA-N
MW266.34 g/mol
LogP2.08
Rot. Bonds5

About 2-[[(1R)-1-(4-hydroxyphenyl)ethyl]-methylamino]ethyl N,N-dimethylcarbamate

2-[[(1R)-1-(4-hydroxyphenyl)ethyl]-methylamino]ethyl N,N-dimethylcarbamate (PubChem CID 57026280) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-hydroxyphenyl)ethyl]-methylamino]ethyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name2-[[(1R)-1-(4-hydroxyphenyl)ethyl]-methylamino]ethyl N,N-dimethylcarbamate
PubChem CID57026280
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[[(1R)-1-(4-hydroxyphenyl)ethyl]-methylamino]ethyl N,N-dimethylcarbamate
SMILESC[C@H](c1ccc(O)cc1)N(C)CCOC(=O)N(C)C
InChIInChI=1S/C14H22N2O3/c1-11(12-5-7-13(17)8-6-12)16(4)9-10-19-14(18)15(2)3/h5-8,11,17H,9-10H2,1-4H3/t11-/m1/s1
InChIKeyMCHQTCLXYZQXSV-LLVKDONJSA-N
XLogP2.08
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(dimethylamino)ethyl]phenol
CID 3029886
3-[1-(4-hydroxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65072257
4-(4-hydroxyphenyl)butyl N,N-dimethylcarbamate
CID 42638414
2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(4-hydroxyphenyl)ethanone
CID 62980072
3-(dimethylamino)butyl N,N-dimethylcarbamate
CID 10465092
4-[1-[2-methoxyethyl(propan-2-yl)amino]ethyl]phenol
CID 82982782
4-[1-[1-methoxypropan-2-yl(methyl)amino]ethyl]phenol
CID 82982525
2-[1-(4-hydroxyphenyl)ethyl-propan-2-ylamino]acetamide
CID 82978295
N-[2-(2-aminoethoxy)ethyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 79479688
4-[amino-[hydroxy(methyl)amino]methyl]phenol
CID 146512717
2-[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]ethoxy]ethanol
CID 56805727
N-[1-(4-hydroxyphenyl)ethyl]-2-methoxy-N-methylethanesulfonamide
CID 55014354

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-hydroxyphenyl)ethyl]-methylamino]ethyl N,N-dimethylcarbamate?
The IUPAC name of 2-[[(1R)-1-(4-hydroxyphenyl)ethyl]-methylamino]ethyl N,N-dimethylcarbamate (CID 57026280) is 2-[[(1R)-1-(4-hydroxyphenyl)ethyl]-methylamino]ethyl N,N-dimethylcarbamate.
What is the SMILES notation for 2-[[(1R)-1-(4-hydroxyphenyl)ethyl]-methylamino]ethyl N,N-dimethylcarbamate?
The canonical SMILES for 2-[[(1R)-1-(4-hydroxyphenyl)ethyl]-methylamino]ethyl N,N-dimethylcarbamate is C[C@H](c1ccc(O)cc1)N(C)CCOC(=O)N(C)C.
What is the InChIKey of 2-[[(1R)-1-(4-hydroxyphenyl)ethyl]-methylamino]ethyl N,N-dimethylcarbamate?
The InChIKey is MCHQTCLXYZQXSV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(12-5-7-13(17)8-6-12)16(4)9-10-19-14(18)15(2)3/h5-8,11,17H,9-10H2,1-4H3/t11-/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-hydroxyphenyl)ethyl]-methylamino]ethyl N,N-dimethylcarbamate?
2-[[(1R)-1-(4-hydroxyphenyl)ethyl]-methylamino]ethyl N,N-dimethylcarbamate has a molecular weight of 266.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-hydroxyphenyl)ethyl]-methylamino]ethyl N,N-dimethylcarbamate is sourced from PubChem (CID 57026280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).