N-[[4-methyl-3-(2,3,6-trimethylphenoxy)phenyl]methyl]ethanamine

C19H25NO — CID 105406973

IUPACN-[[4-methyl-3-(2,3,6-trimethylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(Oc2c(C)ccc(C)c2C)c1
InChIInChI=1S/C19H25NO/c1-6-20-12-17-10-9-14(3)18(11-17)21-19-15(4)8-7-13(2)16(19)5/h7-11,20H,6,12H2,1-5H3
InChIKeySQVWSMNYWLZVEC-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.82
Rot. Bonds5

About N-[[4-methyl-3-(2,3,6-trimethylphenoxy)phenyl]methyl]ethanamine

N-[[4-methyl-3-(2,3,6-trimethylphenoxy)phenyl]methyl]ethanamine (PubChem CID 105406973) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[4-methyl-3-(2,3,6-trimethylphenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-3-(2,3,6-trimethylphenoxy)phenyl]methyl]ethanamine
PubChem CID105406973
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[[4-methyl-3-(2,3,6-trimethylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(Oc2c(C)ccc(C)c2C)c1
InChIInChI=1S/C19H25NO/c1-6-20-12-17-10-9-14(3)18(11-17)21-19-15(4)8-7-13(2)16(19)5/h7-11,20H,6,12H2,1-5H3
InChIKeySQVWSMNYWLZVEC-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-methyl-3-(2,3,6-trimethylphenoxy)phenyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406759
N-[[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]methyl]ethanamine
CID 107169882
N-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406669
N-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine
CID 105407022
N-[[4-methyl-3-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 105406594
N-[[4-(2-methoxy-3,4-dimethylphenyl)-3-methylphenyl]methyl]ethanamine
CID 103434154
N-[[3-(2-bromo-4-chlorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406870
N-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine
CID 63552188
N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 102990193
N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 81471854
N-[[3-(2,3-dimethylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105408635
N-[[3-(4-bromophenoxy)-4-methylphenyl]methyl]propan-1-amine
CID 105406672

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-3-(2,3,6-trimethylphenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-3-(2,3,6-trimethylphenoxy)phenyl]methyl]ethanamine (CID 105406973) is N-[[4-methyl-3-(2,3,6-trimethylphenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-3-(2,3,6-trimethylphenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-3-(2,3,6-trimethylphenoxy)phenyl]methyl]ethanamine is CCNCc1ccc(C)c(Oc2c(C)ccc(C)c2C)c1.
What is the InChIKey of N-[[4-methyl-3-(2,3,6-trimethylphenoxy)phenyl]methyl]ethanamine?
The InChIKey is SQVWSMNYWLZVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-6-20-12-17-10-9-14(3)18(11-17)21-19-15(4)8-7-13(2)16(19)5/h7-11,20H,6,12H2,1-5H3.
What are the key properties of N-[[4-methyl-3-(2,3,6-trimethylphenoxy)phenyl]methyl]ethanamine?
N-[[4-methyl-3-(2,3,6-trimethylphenoxy)phenyl]methyl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-3-(2,3,6-trimethylphenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 105406973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).