2-(2-ethoxy-4-methylphenyl)-N-methylethanamine

C12H19NO — CID 83878523

IUPAC2-(2-ethoxy-4-methylphenyl)-N-methylethanamine
SMILESCCOc1cc(C)ccc1CCNC
InChIInChI=1S/C12H19NO/c1-4-14-12-9-10(2)5-6-11(12)7-8-13-3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyBKAHMDMCOJDPEK-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.16
Rot. Bonds5

About 2-(2-ethoxy-4-methylphenyl)-N-methylethanamine

2-(2-ethoxy-4-methylphenyl)-N-methylethanamine (PubChem CID 83878523) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(2-ethoxy-4-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-ethoxy-4-methylphenyl)-N-methylethanamine
PubChem CID83878523
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(2-ethoxy-4-methylphenyl)-N-methylethanamine
SMILESCCOc1cc(C)ccc1CCNC
InChIInChI=1S/C12H19NO/c1-4-14-12-9-10(2)5-6-11(12)7-8-13-3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyBKAHMDMCOJDPEK-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethyl-4-methylphenyl)-N-methylethanamine
CID 142812232
2-(2-ethoxy-4,5-difluorophenyl)-N-methylethanamine
CID 83886558
2-ethoxy-4-methyl-1-(2-methylpropyl)benzene
CID 118359593
2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine
CID 82550128
1-(2-ethoxy-4-methylphenyl)propan-2-amine
CID 55254147
2-(2-ethoxy-4-methylphenyl)acetamide
CID 146656384
2-[2-[(2-methoxy-4-methylphenoxy)methyl]phenyl]-N-methylethanamine
CID 115464699
CID 67422978
CID 67422978
2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine
CID 82552147
1-(2-ethoxy-4-methylphenyl)-N-methylethanamine
CID 63639272
1-bromo-2-ethoxy-4-methylbenzene
CID 58741892
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-4-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-ethoxy-4-methylphenyl)-N-methylethanamine (CID 83878523) is 2-(2-ethoxy-4-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-ethoxy-4-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-ethoxy-4-methylphenyl)-N-methylethanamine is CCOc1cc(C)ccc1CCNC.
What is the InChIKey of 2-(2-ethoxy-4-methylphenyl)-N-methylethanamine?
The InChIKey is BKAHMDMCOJDPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-14-12-9-10(2)5-6-11(12)7-8-13-3/h5-6,9,13H,4,7-8H2,1-3H3.
What are the key properties of 2-(2-ethoxy-4-methylphenyl)-N-methylethanamine?
2-(2-ethoxy-4-methylphenyl)-N-methylethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-4-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 83878523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).