N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine

C12H19NO — CID 97179094

IUPACN-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
SMILESCCNCc1cccc(C)c1OCC
InChIInChI=1S/C12H19NO/c1-4-13-9-11-8-6-7-10(3)12(11)14-5-2/h6-8,13H,4-5,9H2,1-3H3
InChIKeyROIUWARDNRXXKT-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.50
Rot. Bonds5

About N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine

N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine (PubChem CID 97179094) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
PubChem CID97179094
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
SMILESCCNCc1cccc(C)c1OCC
InChIInChI=1S/C12H19NO/c1-4-13-9-11-8-6-7-10(3)12(11)14-5-2/h6-8,13H,4-5,9H2,1-3H3
InChIKeyROIUWARDNRXXKT-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile
CID 112609123
N-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine
CID 112609046
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol
CID 115952579
N-[[3-methyl-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 112609072
N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115952657
methyl 3-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylpropanoate
CID 115952595
2-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]benzonitrile
CID 115952624
2-[2-(ethylaminomethyl)-6-methylphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 115952627
N-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112609118
4-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylbutanenitrile
CID 112609120
N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine
CID 97179093

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine (CID 97179094) is N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine is CCNCc1cccc(C)c1OCC.
What is the InChIKey of N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine?
The InChIKey is ROIUWARDNRXXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-13-9-11-8-6-7-10(3)12(11)14-5-2/h6-8,13H,4-5,9H2,1-3H3.
What are the key properties of N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine?
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 97179094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).