[3-[2-(dimethylamino)ethyl]-2-methylphenyl] carbamate

C12H18N2O2 — CID 66685340

IUPAC[3-[2-(dimethylamino)ethyl]-2-methylphenyl] carbamate
SMILESCc1c(CCN(C)C)cccc1OC(N)=O
InChIInChI=1S/C12H18N2O2/c1-9-10(7-8-14(2)3)5-4-6-11(9)16-12(13)15/h4-6H,7-8H2,1-3H3,(H2,13,15)
InChIKeyMWVDGVPFEOSSMY-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.56
Rot. Bonds4

About [3-[2-(dimethylamino)ethyl]-2-methylphenyl] carbamate

[3-[2-(dimethylamino)ethyl]-2-methylphenyl] carbamate (PubChem CID 66685340) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethyl]-2-methylphenyl] carbamate.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethyl]-2-methylphenyl] carbamate
PubChem CID66685340
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[3-[2-(dimethylamino)ethyl]-2-methylphenyl] carbamate
SMILESCc1c(CCN(C)C)cccc1OC(N)=O
InChIInChI=1S/C12H18N2O2/c1-9-10(7-8-14(2)3)5-4-6-11(9)16-12(13)15/h4-6H,7-8H2,1-3H3,(H2,13,15)
InChIKeyMWVDGVPFEOSSMY-UHFFFAOYSA-N
XLogP1.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate
CID 162733971
bis[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2,3-dihydroxybutanedioate
CID 175530702
[2-(dimethylamino)phenyl] carbamate
CID 163610116
[3-[2-(dimethylamino)ethyl]-2-phenoxyphenyl] propanoate
CID 174774680
2-(3-methoxy-2-methylphenyl)acetamide
CID 141044512
[3-(2-bromoethyl)-2-fluorophenyl] carbamate
CID 174593765
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (2R)-2,3-dimethylbutanoate
CID 176651518
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 3-[3-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2,2-dimethyl-3-oxopropoxy]-2,2-dimethylpropanoate
CID 176651426
bis[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (2S)-2-hydroxybutanedioate
CID 175530701
3-[2-[amino(methyl)amino]ethyl]-2-methylphenol
CID 137451033
1-[2-(2,3-dimethoxyphenyl)ethyl]-1-methylurea
CID 3052715
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 3,3,4,4-tetradeuterio-4-(dimethylamino)-2-methylbutanoate
CID 176651508

Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethyl]-2-methylphenyl] carbamate?
The IUPAC name of [3-[2-(dimethylamino)ethyl]-2-methylphenyl] carbamate (CID 66685340) is [3-[2-(dimethylamino)ethyl]-2-methylphenyl] carbamate.
What is the SMILES notation for [3-[2-(dimethylamino)ethyl]-2-methylphenyl] carbamate?
The canonical SMILES for [3-[2-(dimethylamino)ethyl]-2-methylphenyl] carbamate is Cc1c(CCN(C)C)cccc1OC(N)=O.
What is the InChIKey of [3-[2-(dimethylamino)ethyl]-2-methylphenyl] carbamate?
The InChIKey is MWVDGVPFEOSSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-10(7-8-14(2)3)5-4-6-11(9)16-12(13)15/h4-6H,7-8H2,1-3H3,(H2,13,15).
What are the key properties of [3-[2-(dimethylamino)ethyl]-2-methylphenyl] carbamate?
[3-[2-(dimethylamino)ethyl]-2-methylphenyl] carbamate has a molecular weight of 222.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethyl]-2-methylphenyl] carbamate is sourced from PubChem (CID 66685340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).