tert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate

C14H22N2O2 — CID 70071054

IUPACtert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)c1ccccc1CN
InChIInChI=1S/C14H22N2O2/c1-5-16(13(17)18-14(2,3)4)12-9-7-6-8-11(12)10-15/h6-9H,5,10,15H2,1-4H3
InChIKeyWGPMJHHDWMBBIO-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.91
Rot. Bonds3

About tert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate

tert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate (PubChem CID 70071054) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is tert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate
PubChem CID70071054
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nametert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)c1ccccc1CN
InChIInChI=1S/C14H22N2O2/c1-5-16(13(17)18-14(2,3)4)12-9-7-6-8-11(12)10-15/h6-9H,5,10,15H2,1-4H3
InChIKeyWGPMJHHDWMBBIO-UHFFFAOYSA-N
XLogP2.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[2-(aminomethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoic acid
CID 121472653
tert-butyl N-[2-(hydroxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121232071
tert-butyl N-(2-iodophenyl)-N-propylcarbamate
CID 165178423
tert-butyl N-[2-(bromomethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121232067
1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol
CID 79384049
3-[2-amino-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoic acid
CID 63118555
tert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate
CID 83717032
tert-butyl N-ethyl-N-(3-fluoro-2-oxo-1H-pyridin-4-yl)carbamate
CID 118622440
tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate
CID 69212492
2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide
CID 81312468
tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate
CID 43275716
tert-butyl N-(2-bromophenyl)-N-prop-2-ynylcarbamate
CID 16748153

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate (CID 70071054) is tert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate is CCN(C(=O)OC(C)(C)C)c1ccccc1CN.
What is the InChIKey of tert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate?
The InChIKey is WGPMJHHDWMBBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-16(13(17)18-14(2,3)4)12-9-7-6-8-11(12)10-15/h6-9H,5,10,15H2,1-4H3.
What are the key properties of tert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate?
tert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate has a molecular weight of 250.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate is sourced from PubChem (CID 70071054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).