[3-[(1R)-1-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate

C12H18N2O2 — CID 97103071

IUPAC[3-[(1R)-1-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate
SMILESCN[C@H](C)c1cccc(OC(=O)N(C)C)c1
InChIInChI=1S/C12H18N2O2/c1-9(13-2)10-6-5-7-11(8-10)16-12(15)14(3)4/h5-9,13H,1-4H3/t9-/m1/s1
InChIKeyUDYXXHXGNRGNDS-SECBINFHSA-N
MW222.29 g/mol
LogP2.03
Rot. Bonds3

About [3-[(1R)-1-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate

[3-[(1R)-1-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate (PubChem CID 97103071) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [3-[(1R)-1-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-[(1R)-1-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate
PubChem CID97103071
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[3-[(1R)-1-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate
SMILESCN[C@H](C)c1cccc(OC(=O)N(C)C)c1
InChIInChI=1S/C12H18N2O2/c1-9(13-2)10-6-5-7-11(8-10)16-12(15)14(3)4/h5-9,13H,1-4H3/t9-/m1/s1
InChIKeyUDYXXHXGNRGNDS-SECBINFHSA-N
XLogP2.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N,N-bis(trideuteriomethyl)carbamate
CID 169437716
N-methyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279883
[3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride
CID 117069146
[3-[(1S)-1-(methylamino)-3-(4-nitrophenoxy)propyl]phenyl] N,N-dimethylcarbamate
CID 68818905
N-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 79168540
[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium;bromide;hydrate
CID 177003345
[3-(dimethylcarbamoyloxy)phenyl]-diethyl-methylazanium
CID 22622
2-[3-[1-(methylamino)ethyl]phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43279861
N-carbamoyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279890
[3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate
CID 59825274
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
N-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 79170154

Frequently Asked Questions

What is the IUPAC name of [3-[(1R)-1-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [3-[(1R)-1-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate (CID 97103071) is [3-[(1R)-1-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-[(1R)-1-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-[(1R)-1-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate is CN[C@H](C)c1cccc(OC(=O)N(C)C)c1.
What is the InChIKey of [3-[(1R)-1-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate?
The InChIKey is UDYXXHXGNRGNDS-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(13-2)10-6-5-7-11(8-10)16-12(15)14(3)4/h5-9,13H,1-4H3/t9-/m1/s1.
What are the key properties of [3-[(1R)-1-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate?
[3-[(1R)-1-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate has a molecular weight of 222.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1R)-1-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 97103071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).