N-ethyl-1-[3-(2,3,6-trimethylphenoxy)phenyl]ethanamine

C19H25NO — CID 79166452

IUPACN-ethyl-1-[3-(2,3,6-trimethylphenoxy)phenyl]ethanamine
SMILESCCNC(C)c1cccc(Oc2c(C)ccc(C)c2C)c1
InChIInChI=1S/C19H25NO/c1-6-20-16(5)17-8-7-9-18(12-17)21-19-14(3)11-10-13(2)15(19)4/h7-12,16,20H,6H2,1-5H3
InChIKeySHBSWHUWZUBESO-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.07
Rot. Bonds5

About N-ethyl-1-[3-(2,3,6-trimethylphenoxy)phenyl]ethanamine

N-ethyl-1-[3-(2,3,6-trimethylphenoxy)phenyl]ethanamine (PubChem CID 79166452) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-ethyl-1-[3-(2,3,6-trimethylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-(2,3,6-trimethylphenoxy)phenyl]ethanamine
PubChem CID79166452
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-ethyl-1-[3-(2,3,6-trimethylphenoxy)phenyl]ethanamine
SMILESCCNC(C)c1cccc(Oc2c(C)ccc(C)c2C)c1
InChIInChI=1S/C19H25NO/c1-6-20-16(5)17-8-7-9-18(12-17)21-19-14(3)11-10-13(2)15(19)4/h7-12,16,20H,6H2,1-5H3
InChIKeySHBSWHUWZUBESO-UHFFFAOYSA-N
XLogP5.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine
CID 79167388
1-[3-(2,5-dichlorophenoxy)phenyl]-N-ethylethanamine
CID 79170877
N-ethyl-1-[3-(2-iodophenoxy)phenyl]ethanamine
CID 79167101
N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine
CID 65365407
(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
CID 93007499
1-[3-(3-bromo-5-fluorophenoxy)phenyl]-N-ethylethanamine
CID 81331400
1-[3-(4-bromo-2-fluorophenoxy)phenyl]-N-ethylethanamine
CID 79167955
1-[3-(2-bromo-4-chlorophenoxy)phenyl]-N-ethylethanamine
CID 79167858
N-[1-[3-(5-bromo-2-methylphenoxy)phenyl]ethyl]propan-1-amine
CID 107284781
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530
N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 60960692
N-[1-(3-pyridin-3-yloxyphenyl)ethyl]propan-1-amine
CID 79168443

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(2,3,6-trimethylphenoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-(2,3,6-trimethylphenoxy)phenyl]ethanamine (CID 79166452) is N-ethyl-1-[3-(2,3,6-trimethylphenoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-(2,3,6-trimethylphenoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-(2,3,6-trimethylphenoxy)phenyl]ethanamine is CCNC(C)c1cccc(Oc2c(C)ccc(C)c2C)c1.
What is the InChIKey of N-ethyl-1-[3-(2,3,6-trimethylphenoxy)phenyl]ethanamine?
The InChIKey is SHBSWHUWZUBESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-6-20-16(5)17-8-7-9-18(12-17)21-19-14(3)11-10-13(2)15(19)4/h7-12,16,20H,6H2,1-5H3.
What are the key properties of N-ethyl-1-[3-(2,3,6-trimethylphenoxy)phenyl]ethanamine?
N-ethyl-1-[3-(2,3,6-trimethylphenoxy)phenyl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(2,3,6-trimethylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 79166452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).