tert-butyl N-[2-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]carbamate

C17H28N4O2 — CID 175110264

IUPACtert-butyl N-[2-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]carbamate
SMILESCN(C)C1CCN(c2ccc(N)c(NC(=O)OC(C)(C)C)c2)C1
InChIInChI=1S/C17H28N4O2/c1-17(2,3)23-16(22)19-15-10-12(6-7-14(15)18)21-9-8-13(11-21)20(4)5/h6-7,10,13H,8-9,11,18H2,1-5H3,(H,19,22)
InChIKeyGFNPLHGCHFHVHW-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.76
Rot. Bonds3

About tert-butyl N-[2-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]carbamate

tert-butyl N-[2-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]carbamate (PubChem CID 175110264) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is tert-butyl N-[2-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]carbamate
PubChem CID175110264
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Nametert-butyl N-[2-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]carbamate
SMILESCN(C)C1CCN(c2ccc(N)c(NC(=O)OC(C)(C)C)c2)C1
InChIInChI=1S/C17H28N4O2/c1-17(2,3)23-16(22)19-15-10-12(6-7-14(15)18)21-9-8-13(11-21)20(4)5/h6-7,10,13H,8-9,11,18H2,1-5H3,(H,19,22)
InChIKeyGFNPLHGCHFHVHW-UHFFFAOYSA-N
XLogP2.76
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]carbamate 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

tert-butyl N-(2-amino-5-pyrrolidin-1-ylphenyl)carbamate
CID 146281522
tert-butyl N-[2-amino-5-(4-piperidin-1-ylpiperidin-1-yl)phenyl]carbamate
CID 146281625
[2-amino-5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]phenyl] N-tert-butylcarbamate
CID 175110263
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]benzoic acid
CID 113419808
tert-butyl N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]carbamate;N,N-dimethyl-1-[4-(methylamino)phenyl]piperidin-4-amine
CID 161481622
(3S)-1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 89285568
N-(2-amino-5-thiophen-2-ylphenyl)-4-[3-(dimethylamino)pyrrolidin-1-yl]benzamide
CID 69101347
tert-butyl N-[2-amino-5-(1-ethylpiperidin-4-yl)phenyl]carbamate
CID 140655626
tert-butyl N-[4-[4-amino-7-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-methoxyphenyl]carbamate
CID 177177950
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]benzenesulfonamide
CID 79467514
1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 63164363
1-(4-amino-3-propan-2-yloxyphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 77241165

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]carbamate (CID 175110264) is tert-butyl N-[2-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]carbamate is CN(C)C1CCN(c2ccc(N)c(NC(=O)OC(C)(C)C)c2)C1.
What is the InChIKey of tert-butyl N-[2-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]carbamate?
The InChIKey is GFNPLHGCHFHVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-17(2,3)23-16(22)19-15-10-12(6-7-14(15)18)21-9-8-13(11-21)20(4)5/h6-7,10,13H,8-9,11,18H2,1-5H3,(H,19,22).
What are the key properties of tert-butyl N-[2-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]carbamate?
tert-butyl N-[2-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]carbamate has a molecular weight of 320.44 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]carbamate is sourced from PubChem (CID 175110264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).