N-[[6-methyl-3-(3-phenylpropoxy)-2-pyridinyl]methyl]ethanamine

C18H24N2O — CID 79157323

IUPACN-[[6-methyl-3-(3-phenylpropoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(C)ccc1OCCCc1ccccc1
InChIInChI=1S/C18H24N2O/c1-3-19-14-17-18(12-11-15(2)20-17)21-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,19H,3,7,10,13-14H2,1-2H3
InChIKeySMRFGBJXDOMTCA-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.51
Rot. Bonds8

About N-[[6-methyl-3-(3-phenylpropoxy)-2-pyridinyl]methyl]ethanamine

N-[[6-methyl-3-(3-phenylpropoxy)-2-pyridinyl]methyl]ethanamine (PubChem CID 79157323) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[6-methyl-3-(3-phenylpropoxy)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-methyl-3-(3-phenylpropoxy)-2-pyridinyl]methyl]ethanamine
PubChem CID79157323
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[6-methyl-3-(3-phenylpropoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(C)ccc1OCCCc1ccccc1
InChIInChI=1S/C18H24N2O/c1-3-19-14-17-18(12-11-15(2)20-17)21-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,19H,3,7,10,13-14H2,1-2H3
InChIKeySMRFGBJXDOMTCA-UHFFFAOYSA-N
XLogP3.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.51
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-[[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79150991
N-[[6-methyl-3-(2-phenylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79158258
N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]ethanamine
CID 79151520
N-[[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]ethanamine
CID 79151286
3-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropanamide
CID 79150504
N-[[3-[(3-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151447
N-[[3-[(3-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151507
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151204
4-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile
CID 79151514
N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79150512
ethyl 2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79151521
2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N-(2-methylpropyl)acetamide
CID 79151664

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-3-(3-phenylpropoxy)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-methyl-3-(3-phenylpropoxy)-2-pyridinyl]methyl]ethanamine (CID 79157323) is N-[[6-methyl-3-(3-phenylpropoxy)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-methyl-3-(3-phenylpropoxy)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-methyl-3-(3-phenylpropoxy)-2-pyridinyl]methyl]ethanamine is CCNCc1nc(C)ccc1OCCCc1ccccc1.
What is the InChIKey of N-[[6-methyl-3-(3-phenylpropoxy)-2-pyridinyl]methyl]ethanamine?
The InChIKey is SMRFGBJXDOMTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-19-14-17-18(12-11-15(2)20-17)21-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,19H,3,7,10,13-14H2,1-2H3.
What are the key properties of N-[[6-methyl-3-(3-phenylpropoxy)-2-pyridinyl]methyl]ethanamine?
N-[[6-methyl-3-(3-phenylpropoxy)-2-pyridinyl]methyl]ethanamine has a molecular weight of 284.40 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-3-(3-phenylpropoxy)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 79157323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).