[3-(dimethylamino)phenyl]carbamic acid

C9H12N2O2 — CID 91129511

IUPAC[3-(dimethylamino)phenyl]carbamic acid
SMILESCN(C)c1cccc(NC(=O)O)c1
InChIInChI=1S/C9H12N2O2/c1-11(2)8-5-3-4-7(6-8)10-9(12)13/h3-6,10H,1-2H3,(H,12,13)
InChIKeyGFDFMCNEZSHNMC-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.84
Rot. Bonds2

About [3-(dimethylamino)phenyl]carbamic acid

[3-(dimethylamino)phenyl]carbamic acid (PubChem CID 91129511) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]carbamic acid.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]carbamic acid
PubChem CID91129511
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name[3-(dimethylamino)phenyl]carbamic acid
SMILESCN(C)c1cccc(NC(=O)O)c1
InChIInChI=1S/C9H12N2O2/c1-11(2)8-5-3-4-7(6-8)10-9(12)13/h3-6,10H,1-2H3,(H,12,13)
InChIKeyGFDFMCNEZSHNMC-UHFFFAOYSA-N
XLogP1.84
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide
CID 108884172
N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide
CID 115376734
[3-(methylamino)phenyl]carbamic acid
CID 66771222
N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108516523
N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108511487
1-[[3-(dimethylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 115378956
N-[3-(dimethylamino)phenyl]-2-(prop-2-ynylamino)acetamide
CID 113297619
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide
CID 69092727
1-[3-(dimethylamino)phenyl]-3-[(E)-prop-1-enyl]urea
CID 108909610
1-[3-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea
CID 108871519
3-[[3-(dimethylamino)phenyl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428993

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]carbamic acid?
The IUPAC name of [3-(dimethylamino)phenyl]carbamic acid (CID 91129511) is [3-(dimethylamino)phenyl]carbamic acid.
What is the SMILES notation for [3-(dimethylamino)phenyl]carbamic acid?
The canonical SMILES for [3-(dimethylamino)phenyl]carbamic acid is CN(C)c1cccc(NC(=O)O)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]carbamic acid?
The InChIKey is GFDFMCNEZSHNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11(2)8-5-3-4-7(6-8)10-9(12)13/h3-6,10H,1-2H3,(H,12,13).
What are the key properties of [3-(dimethylamino)phenyl]carbamic acid?
[3-(dimethylamino)phenyl]carbamic acid has a molecular weight of 180.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]carbamic acid is sourced from PubChem (CID 91129511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).