tert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate

C14H22N2O2 — CID 10083475

IUPACtert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate
SMILESCN(CCc1ccc(N)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16(4)10-9-11-5-7-12(15)8-6-11/h5-8H,9-10,15H2,1-4H3
InChIKeyRFLBWARNKVMNSZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.68
Rot. Bonds3

About tert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate

tert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate (PubChem CID 10083475) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is tert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate
PubChem CID10083475
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nametert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate
SMILESCN(CCc1ccc(N)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16(4)10-9-11-5-7-12(15)8-6-11/h5-8H,9-10,15H2,1-4H3
InChIKeyRFLBWARNKVMNSZ-UHFFFAOYSA-N
XLogP2.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(4-isocyanatophenyl)ethyl]-N-methylcarbamate
CID 58108870
tert-butyl N-[2-(4-amino-N-methylsulfanylanilino)ethyl]-N-methylcarbamate
CID 155431664
3-(4-aminophenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 175152142
[4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]phenyl]boronic acid
CID 58343957
tert-butyl N-methyl-N-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]carbamate
CID 11718487
tert-butyl N-methyl-N-[2-[4-(3-methylphenoxy)phenyl]ethyl]carbamate
CID 67952576
tert-butyl 2-amino-4-(4-aminophenyl)butanoate
CID 129319921
tert-butyl N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamate
CID 58393204
tert-butyl N-[3-[4-(2-hydroxyethyl)-N-methylanilino]propyl]-N-methylcarbamate
CID 164520133
tert-butyl carbamate;4-propylaniline
CID 174513475
[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl] naphthalene-1-carboxylate
CID 68879355
tert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate
CID 23506958

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate (CID 10083475) is tert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate is CN(CCc1ccc(N)cc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate?
The InChIKey is RFLBWARNKVMNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16(4)10-9-11-5-7-12(15)8-6-11/h5-8H,9-10,15H2,1-4H3.
What are the key properties of tert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate?
tert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate has a molecular weight of 250.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate is sourced from PubChem (CID 10083475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).