tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate

C14H22N2O3 — CID 22981165

IUPACtert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate
SMILESCOc1cc(CCNC(=O)OC(C)(C)C)ccc1N
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-8-7-10-5-6-11(15)12(9-10)18-4/h5-6,9H,7-8,15H2,1-4H3,(H,16,17)
InChIKeyGSWRHRPHIJKNJS-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.34
Rot. Bonds4

About tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate

tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate (PubChem CID 22981165) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate
PubChem CID22981165
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nametert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate
SMILESCOc1cc(CCNC(=O)OC(C)(C)C)ccc1N
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-8-7-10-5-6-11(15)12(9-10)18-4/h5-6,9H,7-8,15H2,1-4H3,(H,16,17)
InChIKeyGSWRHRPHIJKNJS-UHFFFAOYSA-N
XLogP2.34
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(4-amino-3-hydroxyphenyl)ethyl]carbamate
CID 170855746
tert-butyl N-[2-[3-methoxy-4-(trideuteriomethoxy)phenyl]ethyl]carbamate
CID 178156317
tert-butyl N-[2-(3-formyl-4-methoxyphenyl)ethyl]carbamate
CID 175662154
tert-butyl N-[3-(4-amino-3-methoxyphenoxy)propyl]carbamate
CID 164576734
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyloxy]propan-2-yl acetate
CID 21478970
tert-butyl N-[3-[[N'-[(3,4-dimethoxyphenyl)methyl]carbamimidoyl]amino]propyl]carbamate
CID 111044730
tert-butyl N-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]carbamate
CID 59596853
tert-butyl N-[2-[4-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 91185994
tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 22337080
methyl 2-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
CID 57016179
methyl 3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]propanoate
CID 141484453
tert-butyl N-[1-[2-(4-hydroxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 18412064

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate (CID 22981165) is tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate is COc1cc(CCNC(=O)OC(C)(C)C)ccc1N.
What is the InChIKey of tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate?
The InChIKey is GSWRHRPHIJKNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-8-7-10-5-6-11(15)12(9-10)18-4/h5-6,9H,7-8,15H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate?
tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate has a molecular weight of 266.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 22981165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).