(2-methoxy-4-methylphenyl) N-(2-aminoethyl)-N-methylcarbamate

C12H18N2O3 — CID 83824605

IUPAC(2-methoxy-4-methylphenyl) N-(2-aminoethyl)-N-methylcarbamate
SMILESCOc1cc(C)ccc1OC(=O)N(C)CCN
InChIInChI=1S/C12H18N2O3/c1-9-4-5-10(11(8-9)16-3)17-12(15)14(2)7-6-13/h4-5,8H,6-7,13H2,1-3H3
InChIKeyPDXZEAJOZAUTEQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.39
Rot. Bonds4

About (2-methoxy-4-methylphenyl) N-(2-aminoethyl)-N-methylcarbamate

(2-methoxy-4-methylphenyl) N-(2-aminoethyl)-N-methylcarbamate (PubChem CID 83824605) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is (2-methoxy-4-methylphenyl) N-(2-aminoethyl)-N-methylcarbamate.

Molecular Properties

Compound Name(2-methoxy-4-methylphenyl) N-(2-aminoethyl)-N-methylcarbamate
PubChem CID83824605
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name(2-methoxy-4-methylphenyl) N-(2-aminoethyl)-N-methylcarbamate
SMILESCOc1cc(C)ccc1OC(=O)N(C)CCN
InChIInChI=1S/C12H18N2O3/c1-9-4-5-10(11(8-9)16-3)17-12(15)14(2)7-6-13/h4-5,8H,6-7,13H2,1-3H3
InChIKeyPDXZEAJOZAUTEQ-UHFFFAOYSA-N
XLogP1.39
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-4-methylphenyl) 3-aminopropanoate
CID 94256158
[4-[(1E,6E)-7-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] N-(2-aminoethyl)-N-methylcarbamate
CID 71504796
methyl N-(2-aminoethyl)-N-methylcarbamate
CID 58684648
(4-methoxyphenyl) N-(2-aminoethyl)-N-methylcarbamate;hydrochloride
CID 45259199
[2-methoxy-4-[[[(E)-8-methylnon-6-enyl]amino]methyl]phenyl] N-(2-aminoethyl)-N-methylcarbamate
CID 145089637
(2-chlorophenyl) N-(2-aminoethyl)-N-methylcarbamate
CID 83823724
1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 82080459
N'-acetyl-N'-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)oxamide
CID 108515609
bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate
CID 121297333
4-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylbutanamide
CID 115155476
2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid
CID 2936004
methyl N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N-methylcarbamate
CID 115190817

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methylphenyl) N-(2-aminoethyl)-N-methylcarbamate?
The IUPAC name of (2-methoxy-4-methylphenyl) N-(2-aminoethyl)-N-methylcarbamate (CID 83824605) is (2-methoxy-4-methylphenyl) N-(2-aminoethyl)-N-methylcarbamate.
What is the SMILES notation for (2-methoxy-4-methylphenyl) N-(2-aminoethyl)-N-methylcarbamate?
The canonical SMILES for (2-methoxy-4-methylphenyl) N-(2-aminoethyl)-N-methylcarbamate is COc1cc(C)ccc1OC(=O)N(C)CCN.
What is the InChIKey of (2-methoxy-4-methylphenyl) N-(2-aminoethyl)-N-methylcarbamate?
The InChIKey is PDXZEAJOZAUTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9-4-5-10(11(8-9)16-3)17-12(15)14(2)7-6-13/h4-5,8H,6-7,13H2,1-3H3.
What are the key properties of (2-methoxy-4-methylphenyl) N-(2-aminoethyl)-N-methylcarbamate?
(2-methoxy-4-methylphenyl) N-(2-aminoethyl)-N-methylcarbamate has a molecular weight of 238.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methylphenyl) N-(2-aminoethyl)-N-methylcarbamate is sourced from PubChem (CID 83824605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).