1-[3-(3,4-dimethylphenoxy)-4-methylphenyl]-N-methylmethanamine

C17H21NO — CID 105406718

IUPAC1-[3-(3,4-dimethylphenoxy)-4-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(C)c(Oc2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H21NO/c1-12-6-8-16(9-14(12)3)19-17-10-15(11-18-4)7-5-13(17)2/h5-10,18H,11H2,1-4H3
InChIKeyMVAGASWJCLFOFZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.12
Rot. Bonds4

About 1-[3-(3,4-dimethylphenoxy)-4-methylphenyl]-N-methylmethanamine

1-[3-(3,4-dimethylphenoxy)-4-methylphenyl]-N-methylmethanamine (PubChem CID 105406718) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[3-(3,4-dimethylphenoxy)-4-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3,4-dimethylphenoxy)-4-methylphenyl]-N-methylmethanamine
PubChem CID105406718
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-[3-(3,4-dimethylphenoxy)-4-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(C)c(Oc2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H21NO/c1-12-6-8-16(9-14(12)3)19-17-10-15(11-18-4)7-5-13(17)2/h5-10,18H,11H2,1-4H3
InChIKeyMVAGASWJCLFOFZ-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[4-methyl-3-(4-propylphenoxy)phenyl]methanamine
CID 105407260
N-methyl-1-[4-methyl-3-(4-nitrophenoxy)phenyl]methanamine
CID 105407116
1-[3-(5-chloro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407414
N-methyl-1-[4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine
CID 63552391
1-[3-(4-fluoro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407476
acetonitrile;1-(3-methoxy-4-methylphenyl)-N-methylmethanamine;molecular hydrogen
CID 176959319
1-[3-(2-chloro-4-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407266
1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 44562943
1-[4-(3,4-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 55039981
1-[3-(2,4-dichlorophenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105406792
1-[6-(3,4-dimethylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80635573
1-[4-(3,4-dichlorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 63551292

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethylphenoxy)-4-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3,4-dimethylphenoxy)-4-methylphenyl]-N-methylmethanamine (CID 105406718) is 1-[3-(3,4-dimethylphenoxy)-4-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3,4-dimethylphenoxy)-4-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3,4-dimethylphenoxy)-4-methylphenyl]-N-methylmethanamine is CNCc1ccc(C)c(Oc2ccc(C)c(C)c2)c1.
What is the InChIKey of 1-[3-(3,4-dimethylphenoxy)-4-methylphenyl]-N-methylmethanamine?
The InChIKey is MVAGASWJCLFOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-6-8-16(9-14(12)3)19-17-10-15(11-18-4)7-5-13(17)2/h5-10,18H,11H2,1-4H3.
What are the key properties of 1-[3-(3,4-dimethylphenoxy)-4-methylphenyl]-N-methylmethanamine?
1-[3-(3,4-dimethylphenoxy)-4-methylphenyl]-N-methylmethanamine has a molecular weight of 255.36 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethylphenoxy)-4-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 105406718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).