tert-butyl N-[5-amino-2-(2-methylbutan-2-yl)phenyl]carbamate

C16H26N2O2 — CID 126755429

IUPACtert-butyl N-[5-amino-2-(2-methylbutan-2-yl)phenyl]carbamate
SMILESCCC(C)(C)c1ccc(N)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-7-16(5,6)12-9-8-11(17)10-13(12)18-14(19)20-15(2,3)4/h8-10H,7,17H2,1-6H3,(H,18,19)
InChIKeyDQOGIOPHQMLRGQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.30
Rot. Bonds3

About tert-butyl N-[5-amino-2-(2-methylbutan-2-yl)phenyl]carbamate

tert-butyl N-[5-amino-2-(2-methylbutan-2-yl)phenyl]carbamate (PubChem CID 126755429) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is tert-butyl N-[5-amino-2-(2-methylbutan-2-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-amino-2-(2-methylbutan-2-yl)phenyl]carbamate
PubChem CID126755429
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Nametert-butyl N-[5-amino-2-(2-methylbutan-2-yl)phenyl]carbamate
SMILESCCC(C)(C)c1ccc(N)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-7-16(5,6)12-9-8-11(17)10-13(12)18-14(19)20-15(2,3)4/h8-10H,7,17H2,1-6H3,(H,18,19)
InChIKeyDQOGIOPHQMLRGQ-UHFFFAOYSA-N
XLogP4.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[5-amino-2-(2-methylbutan-2-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-(5-amino-2-methylphenyl)carbamate
CID 10799065
tert-butyl N-[5-amino-2-(4-aminophenyl)phenyl]carbamate
CID 68786363
tert-butyl N-(5-amino-2-phenylphenyl)carbamate
CID 68789510
tert-butyl N-(5-amino-3-chloro-2-methylphenyl)carbamate
CID 172602283
tert-butyl N-[5-amino-2-(6-phenyl-1,2,4,5-tetrazin-3-yl)phenyl]carbamate
CID 159916711
(4-aminobenzoyl)imino-[4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]iminoazanium
CID 174836977
(3R)-4-(5-amino-2-methylanilino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 126510981
tert-butyl N-(2-amino-3-methylphenyl)carbamate
CID 76849218
tert-butyl N-(2-ethyl-4-hydroxyphenyl)carbamate
CID 143575571
tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-(4-aminophenyl)carbamate
CID 159167301
2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid
CID 143731245
tert-butyl N-[1-(4-aminophenyl)-2-methylpropan-2-yl]carbamate
CID 11369088

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-amino-2-(2-methylbutan-2-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[5-amino-2-(2-methylbutan-2-yl)phenyl]carbamate (CID 126755429) is tert-butyl N-[5-amino-2-(2-methylbutan-2-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-amino-2-(2-methylbutan-2-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[5-amino-2-(2-methylbutan-2-yl)phenyl]carbamate is CCC(C)(C)c1ccc(N)cc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[5-amino-2-(2-methylbutan-2-yl)phenyl]carbamate?
The InChIKey is DQOGIOPHQMLRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-7-16(5,6)12-9-8-11(17)10-13(12)18-14(19)20-15(2,3)4/h8-10H,7,17H2,1-6H3,(H,18,19).
What are the key properties of tert-butyl N-[5-amino-2-(2-methylbutan-2-yl)phenyl]carbamate?
tert-butyl N-[5-amino-2-(2-methylbutan-2-yl)phenyl]carbamate has a molecular weight of 278.40 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-amino-2-(2-methylbutan-2-yl)phenyl]carbamate is sourced from PubChem (CID 126755429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).