[3-chloro-5-(dimethylamino)phenyl] N-tert-butylcarbamate

C13H19ClN2O2 — CID 174375589

IUPAC[3-chloro-5-(dimethylamino)phenyl] N-tert-butylcarbamate
SMILESCN(C)c1cc(Cl)cc(OC(=O)NC(C)(C)C)c1
InChIInChI=1S/C13H19ClN2O2/c1-13(2,3)15-12(17)18-11-7-9(14)6-10(8-11)16(4)5/h6-8H,1-5H3,(H,15,17)
InChIKeyFYFCIOVBECVCFD-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.29
Rot. Bonds2

About [3-chloro-5-(dimethylamino)phenyl] N-tert-butylcarbamate

[3-chloro-5-(dimethylamino)phenyl] N-tert-butylcarbamate (PubChem CID 174375589) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is [3-chloro-5-(dimethylamino)phenyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[3-chloro-5-(dimethylamino)phenyl] N-tert-butylcarbamate
PubChem CID174375589
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name[3-chloro-5-(dimethylamino)phenyl] N-tert-butylcarbamate
SMILESCN(C)c1cc(Cl)cc(OC(=O)NC(C)(C)C)c1
InChIInChI=1S/C13H19ClN2O2/c1-13(2,3)15-12(17)18-11-7-9(14)6-10(8-11)16(4)5/h6-8H,1-5H3,(H,15,17)
InChIKeyFYFCIOVBECVCFD-UHFFFAOYSA-N
XLogP3.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-chloro-5-(dimethylamino)phenyl] N-tert-butylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-dichlorophenyl) N-tert-butylcarbamate
CID 174575887
(4-hydroxyphenyl) N-tert-butylcarbamate
CID 19747177
(5-methylthiophen-3-yl) N-tert-butylcarbamate
CID 175217817
(3,5-dichlorophenyl) N,N-bis(3,5-dichlorophenyl)carbamate
CID 54435350
(7-methoxynaphthalen-2-yl) N-tert-butylcarbamate
CID 174705376
(3-amino-4-methylphenyl) N-tert-butylcarbamate
CID 68878688
3-(3-chloro-4-methylphenyl)-1,1-dimethylurea;[3-(dimethylcarbamoylamino)phenyl] N-tert-butylcarbamate
CID 160620373
5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate
CID 11311209
(7-hydroxynaphthalen-2-yl) N-tert-butylcarbamate
CID 91617195
bis(3,5-dichlorophenyl) carbonate
CID 139771619
[2-amino-4-chloro-5-[ethyl(methyl)amino]phenyl] N-tert-butylcarbamate
CID 174407189
(5-cyclopropylthiophen-3-yl) N-tert-butylcarbamate
CID 175215163

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-(dimethylamino)phenyl] N-tert-butylcarbamate?
The IUPAC name of [3-chloro-5-(dimethylamino)phenyl] N-tert-butylcarbamate (CID 174375589) is [3-chloro-5-(dimethylamino)phenyl] N-tert-butylcarbamate.
What is the SMILES notation for [3-chloro-5-(dimethylamino)phenyl] N-tert-butylcarbamate?
The canonical SMILES for [3-chloro-5-(dimethylamino)phenyl] N-tert-butylcarbamate is CN(C)c1cc(Cl)cc(OC(=O)NC(C)(C)C)c1.
What is the InChIKey of [3-chloro-5-(dimethylamino)phenyl] N-tert-butylcarbamate?
The InChIKey is FYFCIOVBECVCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-13(2,3)15-12(17)18-11-7-9(14)6-10(8-11)16(4)5/h6-8H,1-5H3,(H,15,17).
What are the key properties of [3-chloro-5-(dimethylamino)phenyl] N-tert-butylcarbamate?
[3-chloro-5-(dimethylamino)phenyl] N-tert-butylcarbamate has a molecular weight of 270.76 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-(dimethylamino)phenyl] N-tert-butylcarbamate is sourced from PubChem (CID 174375589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).