tert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate

C14H22N2O3 — CID 63755474

IUPACtert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate
SMILESCCOc1ccc(NC(=O)OC(C)(C)C)cc1CN
InChIInChI=1S/C14H22N2O3/c1-5-18-12-7-6-11(8-10(12)9-15)16-13(17)19-14(2,3)4/h6-8H,5,9,15H2,1-4H3,(H,16,17)
InChIKeyOPHHBKNHLXNUNA-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.89
Rot. Bonds4

About tert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate

tert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate (PubChem CID 63755474) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate
PubChem CID63755474
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nametert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate
SMILESCCOc1ccc(NC(=O)OC(C)(C)C)cc1CN
InChIInChI=1S/C14H22N2O3/c1-5-18-12-7-6-11(8-10(12)9-15)16-13(17)19-14(2,3)4/h6-8H,5,9,15H2,1-4H3,(H,16,17)
InChIKeyOPHHBKNHLXNUNA-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(chloromethyl)-4-ethoxyphenyl]carbamate
CID 114302920
N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
CID 63755124
methyl 2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 166872941
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide
CID 63755309
tert-butyl N-[4-(aminomethyl)-3-chlorophenyl]carbamate
CID 22467470
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
methyl N-[[3-(aminomethyl)-4-ethoxyphenyl]sulfamoyl]carbamate
CID 114467010
tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
CID 65142813
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
N-[3-(aminomethyl)-4-ethoxyphenyl]-1H-pyrazole-5-carboxamide
CID 63755308
N-[3-(aminomethyl)-4-ethoxyphenyl]-6-methylpyridine-2-carboxamide
CID 63755297
tert-butyl N-[3-(hydroxymethyl)-4-methylphenyl]carbamate
CID 58614987

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate (CID 63755474) is tert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate is CCOc1ccc(NC(=O)OC(C)(C)C)cc1CN.
What is the InChIKey of tert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate?
The InChIKey is OPHHBKNHLXNUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-18-12-7-6-11(8-10(12)9-15)16-13(17)19-14(2,3)4/h6-8H,5,9,15H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate?
tert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate has a molecular weight of 266.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate is sourced from PubChem (CID 63755474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).