N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-methylphenyl)ethanamine

C17H22N2O — CID 82893446

IUPACN-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-methylphenyl)ethanamine
SMILESCOc1cc(C)nc(CNCCc2cccc(C)c2)c1
InChIInChI=1S/C17H22N2O/c1-13-5-4-6-15(9-13)7-8-18-12-16-11-17(20-3)10-14(2)19-16/h4-6,9-11,18H,7-8,12H2,1-3H3
InChIKeyMCDQIYLDWRMSET-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.04
Rot. Bonds6

About N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-methylphenyl)ethanamine

N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-methylphenyl)ethanamine (PubChem CID 82893446) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-methylphenyl)ethanamine
PubChem CID82893446
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-methylphenyl)ethanamine
SMILESCOc1cc(C)nc(CNCCc2cccc(C)c2)c1
InChIInChI=1S/C17H22N2O/c1-13-5-4-6-15(9-13)7-8-18-12-16-11-17(20-3)10-14(2)19-16/h4-6,9-11,18H,7-8,12H2,1-3H3
InChIKeyMCDQIYLDWRMSET-UHFFFAOYSA-N
XLogP3.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine
CID 82892985
2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 2063770
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-phenylsulfanylethanamine
CID 82893056
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]decan-1-amine
CID 82887891
6-methyl-2-[[2-(3-methylphenyl)ethylamino]methyl]pyridin-3-ol
CID 78928880
(E)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pent-3-en-1-amine
CID 115924151
1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine
CID 82893811
2-(3-methoxyphenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 107852234
6-[[2-(3-methylphenyl)ethylamino]methyl]pyridine-2-carboxylic acid
CID 106904632
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine
CID 82893583

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-methylphenyl)ethanamine?
The IUPAC name of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-methylphenyl)ethanamine (CID 82893446) is N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-methylphenyl)ethanamine?
The canonical SMILES for N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-methylphenyl)ethanamine is COc1cc(C)nc(CNCCc2cccc(C)c2)c1.
What is the InChIKey of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-methylphenyl)ethanamine?
The InChIKey is MCDQIYLDWRMSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-5-4-6-15(9-13)7-8-18-12-16-11-17(20-3)10-14(2)19-16/h4-6,9-11,18H,7-8,12H2,1-3H3.
What are the key properties of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-methylphenyl)ethanamine?
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-methylphenyl)ethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 82893446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).