ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate

C13H22N2O2 — CID 142192151

IUPACethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate
SMILESCC.CCOC(=O)NCc1cccc(CN)c1
InChIInChI=1S/C11H16N2O2.C2H6/c1-2-15-11(14)13-8-10-5-3-4-9(6-10)7-12;1-2/h3-6H,2,7-8,12H2,1H3,(H,13,14);1-2H3
InChIKeyHQKALINXNZQCGB-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.42
Rot. Bonds4

About ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate

ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate (PubChem CID 142192151) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nameethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate
PubChem CID142192151
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Nameethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate
SMILESCC.CCOC(=O)NCc1cccc(CN)c1
InChIInChI=1S/C11H16N2O2.C2H6/c1-2-15-11(14)13-8-10-5-3-4-9(6-10)7-12;1-2/h3-6H,2,7-8,12H2,1H3,(H,13,14);1-2H3
InChIKeyHQKALINXNZQCGB-UHFFFAOYSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxybutyl N-[[3-(aminomethyl)phenyl]methyl]carbamate
CID 167629788
benzene;ethyl N-benzylcarbamate
CID 67715166
N-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate
CID 25061500
N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108518093
ethyl N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]carbamate
CID 112992182
ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate
CID 60727389
ethyl N-[(3,4-diaminophenyl)methyl]carbamate
CID 130366044
tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate
CID 110282100
ethyl N-[(3-amino-4-methylphenyl)methyl]carbamate
CID 58780499
dimethyl 2,5-bis[3-[[3-(aminomethyl)phenyl]methylcarbamoyloxy]prop-1-ynyl]benzene-1,4-dicarboxylate
CID 10168111
3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride
CID 138011978
1-[[3-(aminomethyl)phenyl]methyl]-3-tert-butylurea
CID 43589459

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate?
The IUPAC name of ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate (CID 142192151) is ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate.
What is the SMILES notation for ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate?
The canonical SMILES for ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate is CC.CCOC(=O)NCc1cccc(CN)c1.
What is the InChIKey of ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate?
The InChIKey is HQKALINXNZQCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.C2H6/c1-2-15-11(14)13-8-10-5-3-4-9(6-10)7-12;1-2/h3-6H,2,7-8,12H2,1H3,(H,13,14);1-2H3.
What are the key properties of ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate?
ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate has a molecular weight of 238.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 142192151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).