tert-butyl N-[2-[4-(aminomethyl)phenyl]ethyl]carbamate

C14H22N2O2 — CID 43248806

IUPACtert-butyl N-[2-[4-(aminomethyl)phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccc(CN)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16-9-8-11-4-6-12(10-15)7-5-11/h4-7H,8-10,15H2,1-3H3,(H,16,17)
InChIKeyMOOOPSISNWRGLA-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.21
Rot. Bonds4

About tert-butyl N-[2-[4-(aminomethyl)phenyl]ethyl]carbamate

tert-butyl N-[2-[4-(aminomethyl)phenyl]ethyl]carbamate (PubChem CID 43248806) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(aminomethyl)phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(aminomethyl)phenyl]ethyl]carbamate
PubChem CID43248806
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nametert-butyl N-[2-[4-(aminomethyl)phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccc(CN)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16-9-8-11-4-6-12(10-15)7-5-11/h4-7H,8-10,15H2,1-3H3,(H,16,17)
InChIKeyMOOOPSISNWRGLA-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(aminomethyl)phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(aminomethyl)phenyl]ethyl]carbamate (CID 43248806) is tert-butyl N-[2-[4-(aminomethyl)phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(aminomethyl)phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(aminomethyl)phenyl]ethyl]carbamate is CC(C)(C)OC(=O)NCCc1ccc(CN)cc1.
What is the InChIKey of tert-butyl N-[2-[4-(aminomethyl)phenyl]ethyl]carbamate?
The InChIKey is MOOOPSISNWRGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16-9-8-11-4-6-12(10-15)7-5-11/h4-7H,8-10,15H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[2-[4-(aminomethyl)phenyl]ethyl]carbamate?
tert-butyl N-[2-[4-(aminomethyl)phenyl]ethyl]carbamate has a molecular weight of 250.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(aminomethyl)phenyl]ethyl]carbamate is sourced from PubChem (CID 43248806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).