[2-(dimethylamino)phenyl] carbamate

C9H12N2O2 — CID 163610116

IUPAC[2-(dimethylamino)phenyl] carbamate
SMILESCN(C)c1ccccc1OC(N)=O
InChIInChI=1S/C9H12N2O2/c1-11(2)7-5-3-4-6-8(7)13-9(10)12/h3-6H,1-2H3,(H2,10,12)
InChIKeyHFENRVFHTUMPIB-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.21
Rot. Bonds2

About [2-(dimethylamino)phenyl] carbamate

[2-(dimethylamino)phenyl] carbamate (PubChem CID 163610116) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is [2-(dimethylamino)phenyl] carbamate.

Molecular Properties

Compound Name[2-(dimethylamino)phenyl] carbamate
PubChem CID163610116
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name[2-(dimethylamino)phenyl] carbamate
SMILESCN(C)c1ccccc1OC(N)=O
InChIInChI=1S/C9H12N2O2/c1-11(2)7-5-3-4-6-8(7)13-9(10)12/h3-6H,1-2H3,(H2,10,12)
InChIKeyHFENRVFHTUMPIB-UHFFFAOYSA-N
XLogP1.21
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-methoxyphenyl)acetohydrazide
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(2-formyl-3-hydroxyphenyl) carbamate
CID 175040502
(2,3-difluorophenyl) carbamate
CID 154511519
[2-[formyl(methyl)amino]phenyl] 2-(dimethylamino)propanoate
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[3-[2-(dimethylamino)ethyl]-2-methylphenyl] carbamate
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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)phenyl] carbamate?
The IUPAC name of [2-(dimethylamino)phenyl] carbamate (CID 163610116) is [2-(dimethylamino)phenyl] carbamate.
What is the SMILES notation for [2-(dimethylamino)phenyl] carbamate?
The canonical SMILES for [2-(dimethylamino)phenyl] carbamate is CN(C)c1ccccc1OC(N)=O.
What is the InChIKey of [2-(dimethylamino)phenyl] carbamate?
The InChIKey is HFENRVFHTUMPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11(2)7-5-3-4-6-8(7)13-9(10)12/h3-6H,1-2H3,(H2,10,12).
What are the key properties of [2-(dimethylamino)phenyl] carbamate?
[2-(dimethylamino)phenyl] carbamate has a molecular weight of 180.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)phenyl] carbamate is sourced from PubChem (CID 163610116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).