tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate

C15H24N2O2 — CID 107243019

IUPACtert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate
SMILESCCNc1cccc(CN(C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-6-16-13-9-7-8-12(10-13)11-17(5)14(18)19-15(2,3)4/h7-10,16H,6,11H2,1-5H3
InChIKeyQBTNAXRSXWKXRZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.49
Rot. Bonds4

About tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate

tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate (PubChem CID 107243019) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate
PubChem CID107243019
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate
SMILESCCNc1cccc(CN(C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-6-16-13-9-7-8-12(10-13)11-17(5)14(18)19-15(2,3)4/h7-10,16H,6,11H2,1-5H3
InChIKeyQBTNAXRSXWKXRZ-UHFFFAOYSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate
CID 103892836
tert-butyl N-[[3-(2,2-dimethoxyethylamino)phenyl]methyl]-N-methylcarbamate
CID 107242997
methyl 2-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]anilino]propanoate
CID 107243030
tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]-N-methylcarbamate
CID 103936292
tert-butyl N-[[3-[(4-benzamidobenzoyl)amino]phenyl]methyl]-N-methylcarbamate
CID 55647395
tert-butyl N-methyl-N-[[3-[(2-methylcyclopentyl)amino]phenyl]methyl]carbamate
CID 107243034
tert-butyl N-[[3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]phenyl]methyl]-N-methylcarbamate
CID 55647789
tert-butyl N-[[3-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]methyl]-N-methylcarbamate
CID 78866397
tert-butyl N-[[3-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]methyl]-N-methylcarbamate
CID 60510983
tert-butyl N-[[3-[[3-(diethylsulfamoyl)benzoyl]amino]phenyl]methyl]-N-methylcarbamate
CID 55647421
tert-butyl N-[[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]methyl]-N-methylcarbamate
CID 94161008
tert-butyl N-[[3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]phenyl]methyl]-N-methylcarbamate
CID 55850427

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate (CID 107243019) is tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate is CCNc1cccc(CN(C)C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate?
The InChIKey is QBTNAXRSXWKXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-6-16-13-9-7-8-12(10-13)11-17(5)14(18)19-15(2,3)4/h7-10,16H,6,11H2,1-5H3.
What are the key properties of tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate?
tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate has a molecular weight of 264.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate is sourced from PubChem (CID 107243019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).