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

C15H24N2O2 — CID 107248645

IUPACtert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
SMILESCCNCc1ccccc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-5-16-10-12-8-6-7-9-13(12)11-17-14(18)19-15(2,3)4/h6-9,16H,5,10-11H2,1-4H3,(H,17,18)
InChIKeyODDKSUITZHETQW-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.82
Rot. Bonds5

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

tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate (PubChem CID 107248645) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
PubChem CID107248645
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
SMILESCCNCc1ccccc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-5-16-10-12-8-6-7-9-13(12)11-17-14(18)19-15(2,3)4/h6-9,16H,5,10-11H2,1-4H3,(H,17,18)
InChIKeyODDKSUITZHETQW-UHFFFAOYSA-N
XLogP2.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[[2-[(azetidin-3-ylamino)methyl]phenyl]methyl]carbamate
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tert-butyl N-[[2-(pentylamino)phenyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate (CID 107248645) is tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate is CCNCc1ccccc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate?
The InChIKey is ODDKSUITZHETQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-16-10-12-8-6-7-9-13(12)11-17-14(18)19-15(2,3)4/h6-9,16H,5,10-11H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate?
tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate has a molecular weight of 264.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 107248645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).