1-(2,4-dimethylphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine

C17H22N2O — CID 43206318

IUPAC1-(2,4-dimethylphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(CNC(C)c2ccc(C)cc2C)cn1
InChIInChI=1S/C17H22N2O/c1-12-5-7-16(13(2)9-12)14(3)18-10-15-6-8-17(20-4)19-11-15/h5-9,11,14,18H,10H2,1-4H3
InChIKeyRUSFHFNDWZUULA-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.56
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine

1-(2,4-dimethylphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 43206318) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
PubChem CID43206318
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(2,4-dimethylphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(CNC(C)c2ccc(C)cc2C)cn1
InChIInChI=1S/C17H22N2O/c1-12-5-7-16(13(2)9-12)14(3)18-10-15-6-8-17(20-4)19-11-15/h5-9,11,14,18H,10H2,1-4H3
InChIKeyRUSFHFNDWZUULA-UHFFFAOYSA-N
XLogP3.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 43770470
[1-(2,4-dimethylphenyl)-2-(6-methoxy-3-pyridinyl)ethyl]hydrazine
CID 105250487
N-[(3,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449103
(1R)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712228
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712225
N-[(6-methoxy-3-pyridinyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43206302
1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185
1-(4-iodophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 43770459
(1R)-1-(3-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 28712390
4-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline
CID 43108017
N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 43206290
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 43206293

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine (CID 43206318) is 1-(2,4-dimethylphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine is COc1ccc(CNC(C)c2ccc(C)cc2C)cn1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is RUSFHFNDWZUULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-5-7-16(13(2)9-12)14(3)18-10-15-6-8-17(20-4)19-11-15/h5-9,11,14,18H,10H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
1-(2,4-dimethylphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 43206318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).