tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate

C14H22N2O3 — CID 156874052

IUPACtert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(OCCN)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-10-11-4-6-12(7-5-11)18-9-8-15/h4-7H,8-10,15H2,1-3H3,(H,16,17)
InChIKeyRQDIGYDILAMONI-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.05
Rot. Bonds5

About tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate

tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate (PubChem CID 156874052) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate
PubChem CID156874052
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nametert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(OCCN)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-10-11-4-6-12(7-5-11)18-9-8-15/h4-7H,8-10,15H2,1-3H3,(H,16,17)
InChIKeyRQDIGYDILAMONI-UHFFFAOYSA-N
XLogP2.05
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate
CID 54547080
benzyl N-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]ethyl]carbamate
CID 156874082
tert-butyl N-[[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]carbamate
CID 54483858
methyl 2-[4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]phenoxy]acetate
CID 91382246
tert-butyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate
CID 63787638
tert-butyl N-[2-[4-(hydroxymethyl)phenoxy]ethyl]carbamate
CID 122451762
tert-butyl N-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]methyl]carbamate
CID 121478558
tert-butyl N-[2-[4-(sulfanylmethyl)phenoxy]ethyl]carbamate
CID 122463054
tert-butyl N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]carbamate
CID 122714734
tert-butyl N-[[4-[(diaminoamino)methyl]phenyl]methyl]carbamate
CID 166772321
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827
tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate
CID 156819756

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate (CID 156874052) is tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(OCCN)cc1.
What is the InChIKey of tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate?
The InChIKey is RQDIGYDILAMONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-10-11-4-6-12(7-5-11)18-9-8-15/h4-7H,8-10,15H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate?
tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate has a molecular weight of 266.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate is sourced from PubChem (CID 156874052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).