ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate

C13H20N2O2 — CID 60668726

IUPACethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate
SMILESCCOC(=O)NCc1ccccc1CN(C)C
InChIInChI=1S/C13H20N2O2/c1-4-17-13(16)14-9-11-7-5-6-8-12(11)10-15(2)3/h5-8H,4,9-10H2,1-3H3,(H,14,16)
InChIKeyQMDDVSMDNDYVTG-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.99
Rot. Bonds5

About ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate

ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate (PubChem CID 60668726) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate
PubChem CID60668726
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nameethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate
SMILESCCOC(=O)NCc1ccccc1CN(C)C
InChIInChI=1S/C13H20N2O2/c1-4-17-13(16)14-9-11-7-5-6-8-12(11)10-15(2)3/h5-8H,4,9-10H2,1-3H3,(H,14,16)
InChIKeyQMDDVSMDNDYVTG-UHFFFAOYSA-N
XLogP1.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamic acid
CID 175218190
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119835483
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 61258455
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-ethylbutanamide
CID 79814762
(2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide
CID 103813347
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide
CID 55104517
benzene;ethyl N-benzylcarbamate
CID 67715166
ethyl 1-[N-[[2-[(dimethylamino)methyl]phenyl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111154829
4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
CID 61260959
2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide
CID 65229042
ethyl N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamate
CID 110445074
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 60607130

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate?
The IUPAC name of ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate (CID 60668726) is ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate is CCOC(=O)NCc1ccccc1CN(C)C.
What is the InChIKey of ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate?
The InChIKey is QMDDVSMDNDYVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-17-13(16)14-9-11-7-5-6-8-12(11)10-15(2)3/h5-8H,4,9-10H2,1-3H3,(H,14,16).
What are the key properties of ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate?
ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate has a molecular weight of 236.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 60668726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).